Vitas-M small molecule compound
propan-2-yl (2Z)-5-amino-6-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Catalog ID
STK871823
SMILES N#CC1=C(N)n2c(=C(C1c1ccc(cc1)C(C)C)C(=O)OC(C)C)s/c(=C\c1ccc(cc1)C(C)C)/c2=O
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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 C31H33N3O3S MW 527.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O3S/c1-17(2)21-9-7-20(8-10-21)15-25-29(35)34-28(33)24(16-32)26(23-13-11-22(12-14-23)18(3)4)27(30(34)38-25)31(36)37-19(5)6/h7-15,17-19,26H,33H2,1-6H3/b25-15-InChIKey
YPVSFODCBJJTQS-MYYYXRDXSA-NSynonyms
(E)isopropyl5amino6cyano2(4isopropylbenzylidene)7(4isopropylphenyl)3oxo37dihydro2Hthiazolo(32a)pyridine8carboxylate
CC(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C(=O)OC(C)C)C4=CC=C(C=C4)C(C)C)C#N)N
InChI=1SC31H33N3O3Sc117(2)219720(81021)152529(35)3428(33)24(1632)26(23131122(121423)18(3)4)27(30(34)3825)31(36)3719(5)6h715171926H33H216H3b2515
ISOPROPYL5AMINO6CYANO2(4ISOPROPYLBENZYLIDENE)7(4ISOPROPYLPHENYL)3OXO23DIHYDRO7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
MFCD01928656
N#CC1=C(N)n2c(=C(C1c1ccc(cc1)C(C)C)C(=O)OC(C)C)sc(=Cc1ccc(cc1)C(C)C)c2=O
propan2yl(2Z)5amino6cyano3oxo2(4(propan2yl)benzylidene)7(4(propan2yl)phenyl)23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
PROPAN2YL(2Z)5AMINO6CYANO3OXO7(4PROPAN2YLPHENYL)2((4PROPAN2YLPHENYL)METHYLIDENE)7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
ZINC000001830264
ZINC000001830266
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