Vitas-M small molecule compound
2-[5-({2-[(4-bromo-3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
Catalog ID
STK186993
SMILES O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1C)CC(=O)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 C21H22BrN5O2S MW 488.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O2S/c1-13-6-4-5-7-17(13)24-19(28)11-18-25-26-21(27(18)3)30-12-20(29)23-15-8-9-16(22)14(2)10-15/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)InChIKey
SQNMHNMZNGJRGR-UHFFFAOYSA-NSynonyms
2(5((2((4BROMO3METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
2(5(2(4BROMO3METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)Br)C
InChI=1SC21H22BrN5O2Sc113645717(13)2419(28)1118252621(27(18)3)301220(29)23158916(22)14(2)1015h410H1112H213H3(H2329)(H2428)
MFCD06628747
ZINC000002881953
ZINC02881953
ZINC2881953
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