Vitas-M small molecule compound
ethyl 2-{[(2Z)-6-chloro-3-(phenylcarbamoyl)-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL145323
SMILES CCOC(=O)c1c(/N=c/2\oc3ccc(cc3cc2C(=O)Nc2ccccc2)Cl)sc2c1CCCC2
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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 C27H23ClN2O4S MW 507.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O4S/c1-2-33-27(32)23-19-10-6-7-11-22(19)35-26(23)30-25-20(24(31)29-18-8-4-3-5-9-18)15-16-14-17(28)12-13-21(16)34-25/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3,(H,29,31)/b30-25-InChIKey
DTEIGDFXXHVMFJ-JVCXMKTPSA-NSynonyms
329195-03-1329195031
CCOC(=O)C1=C(SC2=C1CCCC2)N=C3C(=CC4=C(O3)C=CC(=C4)Cl)C(=O)NC5=CC=CC=C5
CCOC(=O)c1c(N=c2oc3ccc(cc3cc2C(=O)Nc2ccccc2)Cl)sc2c1CCCC2
ethyl2(((2Z)6chloro3(phenylcarbamoyl)2Hchromen2ylidene)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((Z)(6chloro3(phenylcarbamoyl)chromen2ylidene)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H23ClN2O4Sc123327(32)231910671122(19)3526(23)302520(24(31)29188435918)15161417(28)121321(16)3425h35891215H2671011H21H3(H2931)b3025
MFCD01533102
ZINC000011667155
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