Vitas-M small molecule compound

(2E)-3-[(4-butoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Catalog ID
STK529091
SMILES CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-])\C#N

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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 C25H20N4O5S MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O5S/c1-2-3-10-33-20-7-4-18(5-8-20)27-14-17(13-26)24-28-22(15-35-24)21-12-16-11-19(29(31)32)6-9-23(16)34-25(21)30/h4-9,11-12,14-15,27H,2-3,10H2,1H3/b17-14+
InChIKey
OQCCZAQHSZSRBD-SAPNQHFASA-N
Synonyms
(2E)3((4butoxyphenyl)amino)2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(E)3(4BUTOXYANILINO)2(4(6NITRO2OXOCHROMEN3YL)13THIAZOL2YL)PROP2ENENITRILE
3((4butoxyphenyl)amino)2(4(6nitro2oxo2Hchromen3yl)thiazol2yl)acrylonitrile
CCCCOC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
CCCCOc1ccc(cc1)NC=C(c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O))C#N
Registry IDs
MFCD01953450
ZINC000009009741
ZINC09009741
ZINC9009741

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Available files

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