Vitas-M small molecule compound
2-[5-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
Catalog ID
STK218581
SMILES COc1cccc(c1)NC(=O)Cc1nnc(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/c1-13-7-8-15(10-17(13)22)24-20(29)12-31-21-26-25-18(27(21)2)11-19(28)23-14-5-4-6-16(9-14)30-3/h4-10H,11-12H2,1-3H3,(H,23,28)(H,24,29)InChIKey
QRFFFFHBKCRVFO-UHFFFAOYSA-NSynonyms
2(5((2((3CHLORO4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(3METHOXYPHENYL)ACETAMIDE
2(5(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(3METHOXYPHENYL)ACETAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC(=CC=C3)OC)Cl
InChI=1SC21H22ClN5O3Sc1137815(1017(13)22)2420(29)123121262518(27(21)2)1119(28)231454616(914)303h410H1112H213H3(H2328)(H2429)
MFCD07189215
ZINC000009262896
ZINC09262896
ZINC9262896
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