Vitas-M small molecule compound
methyl (2Z)-{5-amino-6-cyano-8-[(3-methylphenyl)carbamoyl]-3-oxo-7-(pyridin-3-yl)-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene}ethanoate
Catalog ID
STL485356
SMILES COC(=O)/C=c/1\sc2=C(C(=O)Nc3cccc(c3)C)C(C(=C(n2c1=O)N)C#N)c1cccnc1
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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 C24H19N5O4S MW 473.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N5O4S/c1-13-5-3-7-15(9-13)28-22(31)20-19(14-6-4-8-27-12-14)16(11-25)21(26)29-23(32)17(34-24(20)29)10-18(30)33-2/h3-10,12,19H,26H2,1-2H3,(H,28,31)/b17-10-InChIKey
SPQSPVUPSNYMMC-YVLHZVERSA-NSynonyms
CC1=CC(=CC=C1)NC(=O)C2=C3N(C(=C(C2C4=CN=CC=C4)C#N)N)C(=O)C(=CC(=O)OC)S3
COC(=O)C=c1sc2=C(C(=O)Nc3cccc(c3)C)C(C(=C(n2c1=O)N)C#N)c1cccnc1
InChI=1SC24H19N5O4Sc11353715(913)2822(31)2019(14648271214)16(1125)21(26)2923(32)17(3424(20)29)1018(30)332h3101219H26H212H3(H2831)b1710
methyl(2Z)(5amino6cyano8((3methylphenyl)carbamoyl)3oxo7(pyridin3yl)7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
methyl(2Z)2(5amino6cyano8((3methylphenyl)carbamoyl)3oxo7pyridin3yl7H(13)thiazolo(32a)pyridin2ylidene)acetate
MFCD08273219
ZINC000008756238
ZINC000008756245
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