Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL171289
SMILES CC(OC(=O)c1c(NC(=O)/C=C/c2ccc(c(c2)Cl)Cl)sc2c1CCCCC2)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 C22H23Cl2NO3S MW 452.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2NO3S/c1-13(2)28-22(27)20-15-6-4-3-5-7-18(15)29-21(20)25-19(26)11-9-14-8-10-16(23)17(24)12-14/h8-13H,3-7H2,1-2H3,(H,25,26)/b11-9+InChIKey
MWTKFKBCSPEOCZ-PKNBQFBNSA-NSynonyms
354995-40-7354995407
CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC3=CC(=C(C=C3)Cl)Cl
CC(OC(=O)c1c(NC(=O)C=Cc2ccc(c(c2)Cl)Cl)sc2c1CCCCC2)C
InChI=1SC22H23Cl2NO3Sc113(2)2822(27)20156435718(15)2921(20)2519(26)1191481016(23)17(24)1214h813H37H212H3(H2526)b119+
MFCD01348639
propan2yl2(((2E)3(34dichlorophenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propan2yl2(((E)3(34dichlorophenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002082273
ZINC02082273
ZINC2082273
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