Vitas-M small molecule compound
2-{[5-(3-methylphenyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK235887
SMILES Cc1cccc(c1)c1nnc(n1C(C)C)SCC(=O)c1ccccc1
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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 C20H21N3OS MW 351.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3OS/c1-14(2)23-19(17-11-7-8-15(3)12-17)21-22-20(23)25-13-18(24)16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3InChIKey
NSCKXXLFXUWHII-UHFFFAOYSA-NSynonyms
2((5(3METHYLPHENYL)4(PROPAN2YL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(3methylphenyl)4propan2yl124triazol3yl)sulfanyl)1phenylethanone
2(4ISOPROPYL5MTOLYL4H(124)TRIAZOL3YLSULFANYL)1PHENYLETHANONE
CC1=CC=CC(=C1)C2=NN=C(N2C(C)C)SCC(=O)C3=CC=CC=C3
InChI=1SC20H21N3OSc114(2)2319(17117815(3)1217)212220(23)251318(24)1695461016h41214H13H213H3
MFCD08670310
ZINC000009190134
ZINC09190134
ZINC9190134
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