Vitas-M small molecule compound
6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(Z)-phenylmethylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385137
SMILES COc1cc(OC)ccc1NC(=O)c1c(/N=C\c2ccccc2)sc2c1CCC(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 C28H32N2O3S MW 476.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O3S/c1-28(2,3)19-11-13-21-24(15-19)34-27(29-17-18-9-7-6-8-10-18)25(21)26(31)30-22-14-12-20(32-4)16-23(22)33-5/h6-10,12,14,16-17,19H,11,13,15H2,1-5H3,(H,30,31)/b29-17-InChIKey
PSRRWSQVBLCMAB-RHANQZHGSA-NSynonyms
2((Z)benzylideneamino)6tertbutylN(24dimethoxyphenyl)4567tetrahydro1benzothiophene3carboxamide
6tertbutylN(24dimethoxyphenyl)2(((Z)phenylmethylidene)amino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=C(C=C3)OC)OC)N=CC4=CC=CC=C4
COc1cc(OC)ccc1NC(=O)c1c(N=Cc2ccccc2)sc2c1CCC(C2)C(C)(C)C
InChI=1SC28H32N2O3Sc128(23)1911132124(1519)3427(29171897681018)25(21)26(31)3022141220(324)1623(22)335h6101214161719H111315H215H3(H3031)b2917
MFCD03835566
ZINC000015946118
ZINC000015946120
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