Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK841210
SMILES COc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2
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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 C21H23NO4S MW 385.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4S/c1-25-15-11-8-14(9-12-15)10-13-18(23)22-20-19(21(24)26-2)16-6-4-3-5-7-17(16)27-20/h8-13H,3-7H2,1-2H3,(H,22,23)/b13-10+InChIKey
AUBIFUSPDKOVKM-JLHYYAGUSA-NSynonyms
496774-35-7(E)methyl2(3(4methoxyphenyl)acrylamido)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
496774357
COC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC
COc1ccc(cc1)C=CC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2
InChI=1SC21H23NO4Sc1251511814(91215)101318(23)222019(21(24)262)166435717(16)2720h813H37H212H3(H2223)b1310+
methyl2(((2E)3(4methoxyphenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(((E)3(4methoxyphenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01353626
ZINC000002300813
ZINC02300813
ZINC2300813
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