Vitas-M small molecule compound
methyl (2Z)-{5-amino-6-cyano-8-[(3,4-dimethylphenyl)carbamoyl]-3-oxo-7-(thiophen-2-yl)-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene}ethanoate
Catalog ID
STL485445
SMILES COC(=O)/C=c/1\sc2=C(C(=O)Nc3ccc(c(c3)C)C)C(C(=C(n2c1=O)N)C#N)c1cccs1
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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 C24H20N4O4S2 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O4S2/c1-12-6-7-14(9-13(12)2)27-22(30)20-19(16-5-4-8-33-16)15(11-25)21(26)28-23(31)17(34-24(20)28)10-18(29)32-3/h4-10,19H,26H2,1-3H3,(H,27,30)/b17-10-InChIKey
KFNUHLYTJQBZFF-YVLHZVERSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)C2=C3N(C(=C(C2C4=CC=CS4)C#N)N)C(=O)C(=CC(=O)OC)S3)C
COC(=O)C=c1sc2=C(C(=O)Nc3ccc(c(c3)C)C)C(C(=C(n2c1=O)N)C#N)c1cccs1
InChI=1SC24H20N4O4S2c1126714(913(12)2)2722(30)2019(165483316)15(1125)21(26)2823(31)17(3424(20)28)1018(29)323h41019H26H213H3(H2730)b1710
methyl(2Z)(5amino6cyano8((34dimethylphenyl)carbamoyl)3oxo7(thiophen2yl)7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
METHYL(2Z)2(5AMINO6CYANO8((34DIMETHYLPHENYL)CARBAMOYL)3OXO7THIOPHEN2YL7H(13)THIAZOLO(32A)PYRIDIN2YLIDENE)ACETATE
MFCD07773468
ZINC000003764675
ZINC000003764677
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