Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-{2-[(2-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Catalog ID
STK221847
SMILES O=C(Cc1nnc(n1C)SC(C(=O)Nc1ccc2c(c1)OCO2)C)Nc1ccccc1C

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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/c1-13-6-4-5-7-16(13)24-20(28)11-19-25-26-22(27(19)3)32-14(2)21(29)23-15-8-9-17-18(10-15)31-12-30-17/h4-10,14H,11-12H2,1-3H3,(H,23,29)(H,24,28)
InChIKey
ADRNRKVYDBJYLV-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC22H23N5O4Sc113645716(13)2420(28)1119252622(27(19)3)3214(2)21(29)2315891718(1015)31123017h41014H1112H213H3(H2329)(H2428)
MFCD07401410
N(13BENZODIOXOL5YL)2((4METHYL5(2((2METHYLPHENYL)AMINO)2OXOETHYL)4H124TRIAZOL3YL)SULFANYL)PROPANAMIDE
N(13BENZODIOXOL5YL)2((4METHYL5(2(2METHYLANILINO)2OXOETHYL)124TRIAZOL3YL)SULFANYL)PROPANAMIDE
ZINC000009264057
ZINC000009264059

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Available files

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