Vitas-M small molecule compound

(2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide

Catalog ID
STK705855
SMILES N#C/C(=C\c1c(Oc2cc(C)cc(c2)C)nc2n(c1=O)cccc2)/C(=O)NC1CCS(=O)(=O)C1

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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 C24H22N4O5S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5S/c1-15-9-16(2)11-19(10-15)33-23-20(24(30)28-7-4-3-5-21(28)27-23)12-17(13-25)22(29)26-18-6-8-34(31,32)14-18/h3-5,7,9-12,18H,6,8,14H2,1-2H3,(H,26,29)/b17-12+
InChIKey
DLBFTSDZQDRVPA-SFQUDFHCSA-N
Synonyms
620109-01-5
(2E)2cyano3(2(35dimethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)N(11dioxidotetrahydrothiophen3yl)prop2enamide
(E)2cyano3(2(35dimethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)N(11dioxidotetrahydrothiophen3yl)acrylamide
(E)2CYANO3(2(35DIMETHYLPHENOXY)4OXO4HPYRIDO(12A)PYRIMIDIN3YL)N(11DIOXOTETRAHYDRO1LAMBDA6THIOPHEN3YL)ACRYLAMIDE
(E)2CYANO3(2(35DIMETHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)N(11DIOXOTHIOLAN3YL)PROP2ENAMIDE
620109015
CC1=CC(=CC(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NC4CCS(=O)(=O)C4)C
InChI=1SC24H22N4O5Sc115916(2)1119(1015)332320(24(30)28743521(28)2723)1217(1325)22(29)26186834(3132)1418h35791218H6814H212H3(H2629)b1712+
MFCD04160519
N#CC(=Cc1c(Oc2cc(C)cc(c2)C)nc2n(c1=O)cccc2)C(=O)NC1CCS(=O)(=O)C1
ZINC000009003812
ZINC000009003813

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Available files

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