Vitas-M small molecule compound
6-tert-butyl-N-(4-methylphenyl)-2-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385358
SMILES COc1c(/C=N/c2sc3c(c2C(=O)Nc2ccc(cc2)C)CCC(C3)C(C)(C)C)ccc(c1OC)OC
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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 C30H36N2O4S MW 520.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O4S/c1-18-8-12-21(13-9-18)32-28(33)25-22-14-11-20(30(2,3)4)16-24(22)37-29(25)31-17-19-10-15-23(34-5)27(36-7)26(19)35-6/h8-10,12-13,15,17,20H,11,14,16H2,1-7H3,(H,32,33)/b31-17+InChIKey
KIUMAMASSRESMA-KBVAKVRCSA-NSynonyms
6tertbutylN(4methylphenyl)2(((E)(234trimethoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutylN(4methylphenyl)2((E)(234trimethoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N=CC4=C(C(=C(C=C4)OC)OC)OC
COc1c(C=Nc2sc3c(c2C(=O)Nc2ccc(cc2)C)CCC(C3)C(C)(C)C)ccc(c1OC)OC
InChI=1SC30H36N2O4Sc11881221(13918)3228(33)2522141120(30(23)4)1624(22)3729(25)311719101523(345)27(367)26(19)356h8101213151720H111416H217H3(H3233)b3117+
MFCD03613625
ZINC000101892268
ZINC000101892273
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