Vitas-M small molecule compound

3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK881310
SMILES CC(OCCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)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 C26H26N4O5S2 MW 538.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O5S2/c1-16(2)33-11-5-9-27-23-18(24(31)29-10-4-3-6-22(29)28-23)13-21-25(32)30(26(36)37-21)14-17-7-8-19-20(12-17)35-15-34-19/h3-4,6-8,10,12-13,16,27H,5,9,11,14-15H2,1-2H3/b21-13-
InChIKey
KPHIFNLFYZOEMY-BKUYFWCQSA-N
Synonyms
839702-97-5
(5Z)3(13BENZODIOXOL5YLMETHYL)5((4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(benzo(d)(13)dioxol5ylmethyl)5((2((3isopropoxypropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin4one
839702975
CC(C)OCCCNC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5
CC(OCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)C
InChI=1SC26H26N4O5S2c116(2)331159272318(24(31)291043622(29)2823)132125(32)30(26(36)3721)1417781920(1217)35153419h34681012131627H59111415H212H3b2113
MFCD03693306
ZINC000101019787
ZINC101019787

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Available files

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