Vitas-M small molecule compound
N-{[5-({2-[(2-ethyl-6-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Catalog ID
STK132713
SMILES C=CCn1c(CNC(=O)c2ccc(c(c2)OC)OC)nnc1SCC(=O)Nc1c(C)cccc1CC
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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 C26H31N5O4S MW 509.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O4S/c1-6-13-31-22(15-27-25(33)19-11-12-20(34-4)21(14-19)35-5)29-30-26(31)36-16-23(32)28-24-17(3)9-8-10-18(24)7-2/h6,8-12,14H,1,7,13,15-16H2,2-5H3,(H,27,33)(H,28,32)InChIKey
WSUINQGCUDYXLE-UHFFFAOYSA-NSynonyms
CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=C(C=C3)OC)OC)C
InChI=1SC26H31N5O4Sc16133122(152725(33)19111220(344)21(1419)355)293026(31)361623(32)282417(3)981018(24)72h681214H17131516H225H3(H2733)(H2832)
MFCD05988026
N((5((2((2ETHYL6METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
N((5(2(2ETHYL6METHYLANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
ZINC000009260426
ZINC09260426
ZINC9260426
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