Vitas-M small molecule compound
N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,4,5-triethoxybenzamide
Catalog ID
STK346316
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1sc2c(c1C#N)CCC(C2)C(C)(C)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 C27H35N3O4S2 MW 529.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O4S2/c1-7-32-20-12-16(13-21(33-8-2)23(20)34-9-3)24(31)29-26(35)30-25-19(15-28)18-11-10-17(27(4,5)6)14-22(18)36-25/h12-13,17H,7-11,14H2,1-6H3,(H2,29,30,31,35)InChIKey
VWTRDDPISLLWKP-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N
InChI=1SC27H35N3O4S2c1732201216(1321(3382)23(20)3493)24(31)2926(35)302519(1528)18111017(27(45)6)1422(18)3625h121317H71114H216H3(H229303135)
MFCD03906705
N((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)345triethoxybenzamide
ZINC000010039370
ZINC000010039371
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