Vitas-M small molecule compound

N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide

Catalog ID
STK230458
SMILES O=C(NC(c1ccccc1)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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-14(15-6-4-3-5-7-15)24-20(28)12-32-22-26-25-19(27(22)2)11-23-21(29)16-8-9-17-18(10-16)31-13-30-17/h3-10,14H,11-13H2,1-2H3,(H,23,29)(H,24,28)
InChIKey
CIXBCYVOMBSNDT-UHFFFAOYSA-N
Synonyms

CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC22H23N5O4Sc114(156435715)2420(28)123222262519(27(22)2)112321(29)16891718(1016)31133017h31014H1113H212H3(H2329)(H2428)
MFCD07792033
N((4METHYL5((2OXO2((1PHENYLETHYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4METHYL5(2OXO2(1PHENYLETHYLAMINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009263803
ZINC000009263804

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Available files

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