Vitas-M small molecule compound
2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-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
STK823671
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)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 C32H31N5O3S2 MW 597.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O3S2/c1-21-9-14-28-33-29(35-17-15-34(16-18-35)24-10-12-25(40-3)13-11-24)26(30(38)36(28)20-21)19-27-31(39)37(32(41)42-27)22(2)23-7-5-4-6-8-23/h4-14,19-20,22H,15-18H2,1-3H3/b27-19-InChIKey
MFCHUIOIIQNONF-DIBXZPPDSA-NSynonyms
(5Z)5((2(4(4methoxyphenyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(1phenylethyl)2sulfanylidene13thiazolidin4one
2(4(4methoxyphenyl)piperazin1yl)7methyl3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)N5CCN(CC5)C6=CC=C(C=C6)OC)C=C1
COc1ccc(cc1)N1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C(c1ccccc1)C)C
InChI=1SC32H31N5O3S2c121914283329(35171534(161835)24101225(403)131124)26(30(38)36(28)2021)192731(39)37(32(41)4227)22(2)237546823h414192022H1518H213H3b2719
MFCD03464170
ZINC000097947180
ZINC000097947181
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