Vitas-M small molecule compound
3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK705773
SMILES COc1ccc(cc1)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)OC)/C1=O
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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 C31H29N5O4S2 MW 599.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O4S2/c1-39-23-10-6-21(7-11-23)20-36-30(38)26(42-31(36)41)19-25-28(32-27-5-3-4-14-35(27)29(25)37)34-17-15-33(16-18-34)22-8-12-24(40-2)13-9-22/h3-14,19H,15-18,20H2,1-2H3/b26-19-InChIKey
ZZBPMESRNLTUDS-XHPQRKPJSA-NSynonyms
(5Z)3((4methoxyphenyl)methyl)5((2(4(4methoxyphenyl)piperazin1yl)4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
3((Z)(3(4methoxybenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4methoxyphenyl)piperazin1yl)4Hpyrido(12a)pyrimidin4one
COC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)C6=CC=C(C=C6)OC)SC2=S
COc1ccc(cc1)CN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)OC)C1=O
InChI=1SC31H29N5O4S2c1392310621(71123)203630(38)26(4231(36)41)192528(32275341435(27)29(25)37)34171533(161834)2281224(402)13922h31419H151820H212H3b2619
MFCD03213046
ZINC000097946682
ZINC97946682
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