Vitas-M small molecule compound
methyl N-{[2-(1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}valinate
Catalog ID
STK631471
SMILES COC(=O)C(C(C)C)NC(=O)c1ccc2c(c1)sc(n2)n1cccc1
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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 C18H19N3O3S MW 357.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O3S/c1-11(2)15(17(23)24-3)20-16(22)12-6-7-13-14(10-12)25-18(19-13)21-8-4-5-9-21/h4-11,15H,1-3H3,(H,20,22)InChIKey
DDMQCCONWJPXQH-UHFFFAOYSA-NSynonyms
CC(C)C(C(=O)OC)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3
InChI=1SC18H19N3O3Sc111(2)15(17(23)243)2016(22)12671314(1012)2518(1913)21845921h41115H13H3(H2022)
methyl2(2(1Hpyrrol1yl)benzo(d)thiazole6carboxamido)3methylbutanoate
methyl3methyl2((2pyrrol1yl13benzothiazole6carbonyl)amino)butanoate
methylN((2(1Hpyrrol1yl)13benzothiazol6yl)carbonyl)valinate
MFCD12204603
ZINC000012409279
ZINC000012409280
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