Vitas-M small molecule compound
methyl (2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucyl}imino)-5-(propan-2-yl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL542624
SMILES CCC(C(C(=O)/N=c\1/[nH]c(c(s1)C(C)C)C(=O)OC)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C35H44N4O8S MW 680.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H44N4O8S/c1-10-18(4)28(33(42)39-35-38-29(34(43)47-9)32(48-35)17(2)3)37-24-14-12-21-22(16-25(24)41)23(36-19(5)40)13-11-20-15-26(44-6)30(45-7)31(46-8)27(20)21/h12,14-18,23,28H,10-11,13H2,1-9H3,(H,36,40)(H,37,41)(H,38,39,42)InChIKey
SAYGGXRJJWNTEU-UHFFFAOYSA-NSynonyms
75531606
InChI=1SC35H44N4O8Sc11018(4)28(33(42)39353829(34(43)479)32(4835)17(2)3)372414122122(1625(24)41)23(3619(5)40)1311201526(446)30(457)31(468)27(20)21h1214182328H101113H219H3(H3640)(H3741)(H383942)
methyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)isoleucyl)imino)5(propan2yl)23dihydro13thiazole4carboxylate
methyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)5propan2yl13thiazole4carboxylate
MFCD31755677
ZINC000206228495
ZINC000253370532
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