Vitas-M small molecule compound
N-{[5-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK116834
SMILES O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2
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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 C21H20ClN5O4S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4S/c1-12-3-5-14(8-15(12)22)24-19(28)10-32-21-26-25-18(27(21)2)9-23-20(29)13-4-6-16-17(7-13)31-11-30-16/h3-8H,9-11H2,1-2H3,(H,23,29)(H,24,28)InChIKey
OIUKTDSYMBVWRS-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4)Cl
InChI=1SC21H20ClN5O4Sc1123514(815(12)22)2419(28)103221262518(27(21)2)92320(29)13461617(713)31113016h38H911H212H3(H2329)(H2428)
MFCD04127793
N((5((2((3CHLORO4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009260621
ZINC09260621
ZINC9260621
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