Vitas-M small molecule compound
butan-2-yl 6-[(3-cyano-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
Catalog ID
STK499564
SMILES CCC(OC(=O)C1CC=CCC1C(=O)Nc1sc2c(c1C#N)cccc2)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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-3-13(2)26-21(25)16-10-5-4-9-15(16)19(24)23-20-17(12-22)14-8-6-7-11-18(14)27-20/h4-8,11,13,15-16H,3,9-10H2,1-2H3,(H,23,24)InChIKey
VVMRODRNXGKEBZ-UHFFFAOYSA-NSynonyms
butan2yl6((3cyano1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylate
CCC(C)OC(=O)C1CC=CCC1C(=O)NC2=C(C3=CC=CC=C3S2)C#N
InChI=1SC21H22N2O3Sc1313(2)2621(25)161054915(16)19(24)232017(1222)148671118(14)2720h4811131516H3910H212H3(H2324)
MFCD11855792
ZINC000032581186
ZINC000239235358
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