Vitas-M small molecule compound
methyl (2Z)-2-[(4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)imino]-5-(propan-2-yl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL543367
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/sc1C(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 C33H40N4O8S MW 652.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O8S/c1-17(2)31-28(32(41)45-7)37-33(46-31)36-26(40)9-8-14-34-23-13-11-20-21(16-24(23)39)22(35-18(3)38)12-10-19-15-25(42-4)29(43-5)30(44-6)27(19)20/h11,13,15-17,22H,8-10,12,14H2,1-7H3,(H,34,39)(H,35,38)(H,36,37,40)InChIKey
MKPRMFINEUMJHB-UHFFFAOYSA-NSynonyms
110210119
InChI=1SC33H40N4O8Sc117(2)3128(32(41)457)3733(4631)3626(40)9814342313112021(1624(23)39)22(3518(3)38)1210191525(424)29(435)30(446)27(19)20h1113151722H8101214H217H3(H3439)(H3538)(H363740)
methyl(2Z)2((4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)imino)5(propan2yl)23dihydro13thiazole4carboxylate
methyl2(4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)5propan2yl13thiazole4carboxylate
MFCD31755833
ZINC000150653490
ZINC000252537814
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