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}-2-methoxybenzamide
Catalog ID
STK221749
SMILES COc1ccccc1C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(c(c1)Cl)C
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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 C21H22ClN5O3S MW 459.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O3S/c1-13-8-9-14(10-16(13)22)24-19(28)12-31-21-26-25-18(27(21)2)11-23-20(29)15-6-4-5-7-17(15)30-3/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)InChIKey
GFCQRBVIYVEIFX-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3OC)Cl
InChI=1SC21H22ClN5O3Sc1138914(1016(13)22)2419(28)123121262518(27(21)2)112320(29)15645717(15)303h410H1112H213H3(H2329)(H2428)
MFCD07403224
N((5((2((3CHLORO4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)2METHOXYBENZAMIDE
N((5(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)2METHOXYBENZAMIDE
ZINC000009263811
ZINC09263811
ZINC9263811
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