Vitas-M small molecule compound

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK798446
SMILES Cc1ccc(cc1)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccc3c(c2)OCO3)/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 C32H29N5O4S2 MW 611.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O4S2/c1-21-5-7-22(8-6-21)19-37-31(39)27(43-32(37)42)17-24-29(33-28-4-2-3-11-36(28)30(24)38)35-14-12-34(13-15-35)18-23-9-10-25-26(16-23)41-20-40-25/h2-11,16-17H,12-15,18-20H2,1H3/b27-17-
InChIKey
ODBIDOAZIVVCSN-PKAZHMFMSA-N
Synonyms

(5Z)5((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(13benzodioxol5ylmethyl)piperazin1yl)3((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7)SC2=S
Cc1ccc(cc1)CN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C1=O
InChI=1SC32H29N5O4S2c1215722(8621)193731(39)27(4332(37)42)172429(33284231136(28)30(24)38)35141234(131535)18239102526(1623)41204025h2111617H12151820H21H3b2717
MFCD03212982
ZINC000097946173
ZINC97946173

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Available files

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