Vitas-M small molecule compound
ethyl (2Z)-2-({(Z)-N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl}imino)-5-methyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL550063
SMILES CCOC(=O)c1[nH]/c(=N/C(=O)[C@H]([C@@H](CC)C)Nc2ccc3c(cc2=O)[C@H](CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/sc1C
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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 C34H42N4O8S MW 666.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42N4O8S/c1-9-17(3)28(32(41)38-34-37-29(18(4)47-34)33(42)46-10-2)36-24-14-12-21-22(16-25(24)40)23(35-19(5)39)13-11-20-15-26(43-6)30(44-7)31(45-8)27(20)21/h12,14-17,23,28H,9-11,13H2,1-8H3,(H,35,39)(H,36,40)(H,37,38,41)/t17-,23+,28+/m1/s1InChIKey
GRUAXISSSAJPQU-JBKUBBTJSA-NSynonyms
127253583
ethyl(2Z)2(((Z)N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucyl)imino)5methyl23dihydro13thiazole4carboxylate
ethyl2(((2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)5methyl13thiazole4carboxylate
InChI=1SC34H42N4O8Sc1917(3)28(32(41)38343729(18(4)4734)33(42)46102)362414122122(1625(24)40)23(3519(5)39)1311201526(436)30(447)31(458)27(20)21h1214172328H91113H218H3(H3539)(H3640)(H373841)t1723+28+m1s1
ZINC000604403971
ZINC604403971
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