Vitas-M small molecule compound
N-({4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK139976
SMILES CC(c1ccc(cc1)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccccc1)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 C22H25N5O2S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O2S/c1-15(2)16-9-11-18(12-10-16)24-20(28)14-30-22-26-25-19(27(22)3)13-23-21(29)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,23,29)(H,24,28)InChIKey
KUGVIJXXRFXASQ-UHFFFAOYSA-NSynonyms
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3
InChI=1SC22H25N5O2Sc115(2)1691118(121016)2420(28)143022262519(27(22)3)132321(29)177546817h41215H1314H213H3(H2329)(H2428)
MFCD04212020
N((4METHYL5((2OXO2((4(PROPAN2YL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
N((4METHYL5(2OXO2(4PROPAN2YLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
ZINC000001130517
ZINC01130517
ZINC1130517
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