Vitas-M small molecule compound
(2E)-5-amino-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Catalog ID
STK014746
SMILES COc1ccc(cc1)/C=c\1/sc2=C(C#N)C(C(=C(n2c1=O)N)S(=O)(=O)c1ccccc1)c1ccc(cc1)OC
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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 C29H23N3O5S2 MW 557.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O5S2/c1-36-20-12-8-18(9-13-20)16-24-28(33)32-27(31)26(39(34,35)22-6-4-3-5-7-22)25(23(17-30)29(32)38-24)19-10-14-21(37-2)15-11-19/h3-16,25H,31H2,1-2H3/b24-16+InChIKey
XGKUSWSNKCBMEW-LFVJCYFKSA-NSynonyms
(2E)5AMINO2(4METHOXYBENZYLIDENE)7(4METHOXYPHENYL)3OXO6(PHENYLSULFONYL)23DIHYDRO7H(13)THIAZOLO(32A)PYRIDINE8CARBONITRILE
(2E)5AMINO6(BENZENESULFONYL)7(4METHOXYPHENYL)2((4METHOXYPHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE8CARBONITRILE
COC1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC=C(C=C4)OC)S(=O)(=O)C5=CC=CC=C5)N
COc1ccc(cc1)C=c1sc2=C(C#N)C(C(=C(n2c1=O)N)S(=O)(=O)c1ccccc1)c1ccc(cc1)OC
InChI=1SC29H23N3O5S2c1362012818(91320)162428(33)3227(31)26(39(3435)226435722)25(23(1730)29(32)3824)19101421(372)151119h31625H31H212H3b2416+
MFCD08049564
STK014746
ZINC000101393937
ZINC000101393941
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