Vitas-M small molecule compound
3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-{1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL552563
SMILES COCc1[nH]nc(n1)C(Cc1ccccc1)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1cc(OC)c(c(c1)OC)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C42H50N4O10 MW 770.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H50N4O10/c1-25-13-12-18-29(47)17-11-7-10-16-27-20-32(48)38(39(50)37(27)42(51)56-25)30(28-21-33(53-3)40(55-5)34(22-28)54-4)23-36(49)43-31(19-26-14-8-6-9-15-26)41-44-35(24-52-2)45-46-41/h6,8-10,14-16,20-22,25,30-31,48,50H,7,11-13,17-19,23-24H2,1InChIKey
WECFHMFPZRAXHK-FSOCHTHDSA-NSynonyms
135640778
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(1(5(methoxymethyl)1H124triazol3yl)2phenylethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(1(5(methoxymethyl)1~(H)124triazol3yl)2phenylethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(1(3(methoxymethyl)1H124triazol5yl)2phenylethyl)3(345trimethoxyphenyl)propanamide
COCc1n(nH)c(n1)C(Cc1ccccc1)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1cc(OC)c(c(c1)OC)OC
InChI=1SC42H50N4O10c12513121829(47)171171016272032(48)38(39(50)37(27)42(51)5625)30(282133(533)40(555)34(2228)544)2336(49)4331(1926148691526)414435(24522)454641h6810141620222530314850H7111317192324H215H3(H4349)(H444546)b1610+t2530?31?m0s1
ZINC001547138923
ZINC001547138928
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