Vitas-M small molecule compound
(2E)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
Catalog ID
STK315470
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)/C=C/c1ccc(c(c1)OC)OC)(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 C25H30N2O3S MW 438.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O3S/c1-6-25(2,3)17-9-10-18-19(15-26)24(31-22(18)14-17)27-23(28)12-8-16-7-11-20(29-4)21(13-16)30-5/h7-8,11-13,17H,6,9-10,14H2,1-5H3,(H,27,28)/b12-8+InChIKey
AEUQPGDABIMYAX-XYOKQWHBSA-NSynonyms
573998-00-2(2E)N(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)3(34dimethoxyphenyl)prop2enamide
(E)N(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)3(34dimethoxyphenyl)prop2enamide
573998002
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC3=CC(=C(C=C3)OC)OC
CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)C=Cc1ccc(c(c1)OC)OC)(C)C
InChI=1SC25H30N2O3Sc1625(23)179101819(1526)24(3122(18)1417)2723(28)1281671120(294)21(1316)305h78111317H691014H215H3(H2728)b128+
MFCD01337292
ZINC000002081515
ZINC000002081517
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