Vitas-M small molecule compound
ethyl 2-(3-{(Z)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL438683
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)(C)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 C32H35N3O5S MW 573.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N3O5S/c1-7-40-30(38)26-23-10-8-9-11-25(23)41-29(26)34-18(2)16-20(19(34)3)17-24-27(36)33-31(39)35(28(24)37)22-14-12-21(13-15-22)32(4,5)6/h12-17H,7-11H2,1-6H3,(H,33,36,39)/b24-17-InChIKey
VAVJPIABUCQYHU-ULJHMMPZSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)C(C)(C)C)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)(C)C
ethyl2(3((Z)(1(4tertbutylphenyl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((Z)(1(4tertbutylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC32H35N3O5Sc174030(38)262310891125(23)4129(26)3418(2)1620(19(34)3)172427(36)3331(39)35(28(24)37)22141221(131522)32(45)6h1217H711H216H3(H333639)b2417
MFCD06239601
ZINC000008712080
ZINC8712080
Check stock
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Check stock on Vitas-MAvailable files
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