Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL120090
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cc3c(o2)c(OC)cc(c3)Cl)sc2c1CCC(C2)CC
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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 C25H26ClNO5S MW 488.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO5S/c1-4-14-6-8-18-20(10-14)33-24(22(18)25(29)31-5-2)27-21(28)9-7-17-12-15-11-16(26)13-19(30-3)23(15)32-17/h7,9,11-14H,4-6,8,10H2,1-3H3,(H,27,28)/b9-7+InChIKey
IFNYLTISGCPPLY-VQHVLOKHSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C=CC3=CC4=CC(=CC(=C4O3)OC)Cl
CCOC(=O)c1c(NC(=O)C=Cc2cc3c(o2)c(OC)cc(c3)Cl)sc2c1CCC(C2)CC
ethyl2(((2E)3(5chloro7methoxy1benzofuran2yl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(5chloro7methoxy1benzofuran2yl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H26ClNO5Sc1414681820(1014)3324(22(18)25(29)3152)2721(28)971712151116(26)1319(303)23(15)3217h791114H46810H213H3(H2728)b97+
MFCD20753192
ZINC000067339453
ZINC000067339454
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