Vitas-M small molecule compound
(Z)-N~2~-[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]valinamide
Catalog ID
STL543247
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)/N=c/2\scc([nH]2)c2cccnc2)C(C)C)NC(=O)C)cc(c1OC)OC
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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 C34H37N5O6S MW 643.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37N5O6S/c1-18(2)30(33(42)39-34-38-26(17-46-34)21-8-7-13-35-16-21)37-25-12-10-22-23(15-27(25)41)24(36-19(3)40)11-9-20-14-28(43-4)31(44-5)32(45-6)29(20)22/h7-8,10,12-18,24,30H,9,11H2,1-6H3,(H,36,40)(H,37,41)(H,38,39,42)InChIKey
UUJNLJDIXWJOJR-UHFFFAOYSA-NSynonyms
(Z)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(pyridin3yl)13thiazol2(3H)ylidene)valinamide
135639661
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(4pyridin3yl13thiazol2yl)butanamide
InChI=1SC34H37N5O6Sc118(2)30(33(42)39343826(174634)218713351621)372512102223(1527(25)41)24(3619(3)40)119201428(434)31(445)32(456)29(20)22h781012182430H911H216H3(H3640)(H3741)(H383942)
MFCD31755809
ZINC000217923602
ZINC000504106337
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