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]-3-(4-methoxyphenyl)-N-{4-methyl-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pentan-2-yl}propanamid
Catalog ID
STL551798
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CC(C)C
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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 C45H55N3O9 MW 781.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H55N3O9/c1-27(2)20-36(44(54)47-24-29-21-32(26-47)37-14-9-15-40(52)48(37)25-29)46-39(51)23-35(30-16-18-34(56-4)19-17-30)42-38(50)22-31-11-6-5-7-12-33(49)13-8-10-28(3)57-45(55)41(31)43(42)53/h6,9,11,14-19,22,27-29,32,35-36,50,53H,5,7-8,10,12-13,InChIKey
HZWJUVPEPWLBOP-VBGPHZPLSA-NSynonyms
135640140
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(4methyl1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)pentan2yl)propanamid
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)~(N)(4methyl1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)pentan2yl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CC(C)C
InChI=1SC45H55N3O9c127(2)2036(44(54)4724292132(2647)371491540(52)48(37)2529)4639(51)2335(30161834(564)191730)4238(50)2231116571233(49)1381028(3)5745(55)41(31)43(42)53h691114192227293235365053H57810121320212326H214H3(H4651)b116+t2829+3235?36?m0s1
ZINC001547208918
ZINC001547208921
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