Vitas-M small molecule compound
methyl (2Z)-{5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-(thiophen-2-yl)-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene}ethanoate
Catalog ID
STL485447
SMILES COC(=O)/C=c/1\sc2=C(C(=O)Nc3ccc(cc3)OC)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 C23H18N4O5S2 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5S2/c1-31-13-7-5-12(6-8-13)26-21(29)19-18(15-4-3-9-33-15)14(11-24)20(25)27-22(30)16(34-23(19)27)10-17(28)32-2/h3-10,18H,25H2,1-2H3,(H,26,29)/b16-10-InChIKey
RRAGSKZXPTWQCU-YBEGLDIGSA-NSynonyms
COC(=O)C=c1sc2=C(C(=O)Nc3ccc(cc3)OC)C(C(=C(n2c1=O)N)C#N)c1cccs1
COC1=CC=C(C=C1)NC(=O)C2=C3N(C(=C(C2C4=CC=CS4)C#N)N)C(=O)C(=CC(=O)OC)S3
InChI=1SC23H18N4O5S2c131137512(6813)2621(29)1918(154393315)14(1124)20(25)2722(30)16(3423(19)27)1017(28)322h31018H25H212H3(H2629)b1610
methyl(2Z)(5amino6cyano8((4methoxyphenyl)carbamoyl)3oxo7(thiophen2yl)7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
METHYL(2Z)2(5AMINO6CYANO8((4METHOXYPHENYL)CARBAMOYL)3OXO7THIOPHEN2YL7H(13)THIAZOLO(32A)PYRIDIN2YLIDENE)ACETATE
MFCD07773469
ZINC000003764682
ZINC000003764684
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