Vitas-M small molecule compound

3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-9-methyl-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK706169
SMILES COc1cc(CCN2C(=S)S/C(=C\c3c(nc4n(c3=O)cccc4C)N3CCCC3)/C2=O)ccc1OC

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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 C27H28N4O4S2 MW 536.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S2/c1-17-7-6-13-30-23(17)28-24(29-11-4-5-12-29)19(25(30)32)16-22-26(33)31(27(36)37-22)14-10-18-8-9-20(34-2)21(15-18)35-3/h6-9,13,15-16H,4-5,10-12,14H2,1-3H3/b22-16-
InChIKey
IQRKAWVBYHZZOG-JWGURIENSA-N
Synonyms
607704-46-1
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((9METHYL4OXO2PYRROLIDIN1YLPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(34dimethoxyphenethyl)5((9methyl4oxo2(pyrrolidin1yl)4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2(pyrrolidin1yl)4Hpyrido(12a)pyrimidin4one
607704461
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)N5CCCC5
COc1cc(CCN2C(=S)SC(=Cc3c(nc4n(c3=O)cccc4C)N3CCCC3)C2=O)ccc1OC
InChI=1SC27H28N4O4S2c11776133023(17)2824(2911451229)19(25(30)32)162226(33)31(27(36)3722)1410188920(342)21(1518)353h69131516H45101214H213H3b2216
MFCD03666566
ZINC000100907082
ZINC100907082

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Available files

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