Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-7-methyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK816661
SMILES C=CCN1C(=S)S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cc(cc3)C)/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 C24H20N4O4S2 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O4S2/c1-3-8-27-23(30)19(34-24(27)33)10-16-21(26-20-7-4-14(2)12-28(20)22(16)29)25-11-15-5-6-17-18(9-15)32-13-31-17/h3-7,9-10,12,25H,1,8,11,13H2,2H3/b19-10-InChIKey
PCAJIZGBVOLIHH-GRSHGNNSSA-NSynonyms
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)7methyl3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=S)SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cc(cc3)C)C1=O
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)NCC4=CC5=C(C=C4)OCO5)C=C1
InChI=1SC24H20N4O4S2c1382723(30)19(3424(27)33)101621(26207414(2)1228(20)22(16)29)251115561718(915)32133117h379101225H181113H22H3b1910
MFCD03212830
ZINC000016156638
ZINC16156638
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