Vitas-M small molecule compound
2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK815788
SMILES OC(c1ccccc1)CNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)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 C29H26N4O3S2 MW 542.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O3S2/c1-18-10-9-15-32-26(18)31-25(30-17-23(34)21-13-7-4-8-14-21)22(27(32)35)16-24-28(36)33(29(37)38-24)19(2)20-11-5-3-6-12-20/h3-16,19,23,30,34H,17H2,1-2H3/b24-16-InChIKey
QOIIXZVWYBVRJZ-JLPGSUDCSA-NSynonyms
(5Z)5((2((2HYDROXY2PHENYLETHYL)AMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2((2hydroxy2phenylethyl)amino)9methyl3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)NCC(C5=CC=CC=C5)O
InChI=1SC29H26N4O3S2c118109153226(18)3125(301723(34)21137481421)22(27(32)35)162428(36)33(29(37)3824)19(2)20115361220h31619233034H17H212H3b2416
MFCD04445941
OC(c1ccccc1)CNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C(c1ccccc1)C
ZINC000097946533
ZINC000097946536
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