Vitas-M small molecule compound
ethyl 2-{3-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK396974
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
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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 C34H31N3O4S2 MW 609.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N3O4S2/c1-4-41-33(40)29-26-17-11-12-18-28(26)43-32(29)35-21(2)19-23(22(35)3)20-27-30(38)36(24-13-7-5-8-14-24)34(42)37(31(27)39)25-15-9-6-10-16-25/h5-10,13-16,19-20H,4,11-12,17-18H2,1-3H3InChIKey
ZTGCKAJVZYHALS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)N(C(=S)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
ethyl2(3((46dioxo13diphenyl2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((46dioxo13diphenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC34H31N3O4S2c144133(40)29261711121828(26)4332(29)3521(2)1923(22(35)3)202730(38)36(24137581424)34(42)37(31(27)39)251596101625h51013161920H411121718H213H3
MFCD01824878
ZINC000004211708
ZINC4211708
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.