Vitas-M small molecule compound
ethyl 2-(2,5-dimethyl-3-{(Z)-[1-(2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK177165
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccccc1C
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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 C29H29N3O5S MW 531.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O5S/c1-5-37-28(35)24-20-11-7-9-13-23(20)38-27(24)31-17(3)14-19(18(31)4)15-21-25(33)30-29(36)32(26(21)34)22-12-8-6-10-16(22)2/h6,8,10,12,14-15H,5,7,9,11,13H2,1-4H3,(H,30,33,36)/b21-15-InChIKey
YCZDVWSNFPKCJX-QNGOZBTKSA-NSynonyms
(E)ethyl2(25dimethyl3((246trioxo1(otolyl)tetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)NC(=O)N(C4=O)C5=CC=CC=C5C)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1C
ethyl2(25dimethyl3((Z)(1(2methylphenyl)246trioxo13diazinan5ylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(25dimethyl3((Z)(1(2methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H29N3O5Sc153728(35)242011791323(20)3827(24)3117(3)1419(18(31)4)152125(33)3029(36)32(26(21)34)2212861016(22)2h6810121415H5791113H214H3(H303336)b2115
MFCD01874554
ZINC000002296222
ZINC2296222
Check stock
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Check stock on Vitas-MAvailable files
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