Vitas-M small molecule compound
(Z)-N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]-L-methioninamide
Catalog ID
STL551591
SMILES CSCC[C@@H](C(=O)/N=c/1\scc([nH]1)c1cccnc1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C34H37N5O6S2 MW 675.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37N5O6S2/c1-19(40)36-24-10-8-20-15-29(43-2)31(44-3)32(45-4)30(20)22-9-11-25(28(41)16-23(22)24)37-26(12-14-46-5)33(42)39-34-38-27(18-47-34)21-7-6-13-35-17-21/h6-7,9,11,13,15-18,24,26H,8,10,12,14H2,1-5H3,(H,36,40)(H,37,41)(H,38,39,42)/t24-,26-/InChIKey
WPEJDGUBRLXLPN-AHWVRZQESA-NSynonyms
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(4pyridin3yl13thiazol2yl)butanamide
(Z)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(pyridin3yl)13thiazol2(3H)ylidene)Lmethioninamide
125430699
InChI=1SC34H37N5O6S2c119(40)3624108201529(432)31(443)32(454)30(20)2291125(28(41)1623(22)24)3726(1214465)33(42)39343827(184734)217613351721h679111315182426H8101214H215H3(H3640)(H3741)(H383942)t2426m0s1
ZINC000524732086
ZINC524732086
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