Vitas-M small molecule compound
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK798477
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2
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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 C32H29N5O5S2 MW 627.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O5S2/c1-20-4-3-11-36-28(20)33-29(35-14-12-34(13-15-35)22-6-8-23(40-2)9-7-22)24(30(36)38)17-27-31(39)37(32(43)44-27)18-21-5-10-25-26(16-21)42-19-41-25/h3-11,16-17H,12-15,18-19H2,1-2H3/b27-17-InChIKey
IYRRTOBRKNDWOG-PKAZHMFMSA-NSynonyms
(5Z)3(13BENZODIOXOL5YLMETHYL)5((2(4(4METHOXYPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4methoxyphenyl)piperazin1yl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)N6CCN(CC6)C7=CC=C(C=C7)OC
COc1ccc(cc1)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2
InChI=1SC32H29N5O5S2c12043113628(20)3329(35141234(131535)226823(402)9722)24(30(36)38)172731(39)37(32(43)4427)18215102526(1621)42194125h3111617H12151819H212H3b2717
MFCD03461989
ZINC000097946175
ZINC97946175
Check stock
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Check stock on Vitas-MAvailable files
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