Vitas-M small molecule compound
2-methoxy-4-[(Z)-(3-methyl-5-oxo-1-{4-[(propan-2-yloxy)carbonyl]phenyl}-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl thiophene-2-carboxylate
Catalog ID
STL431992
SMILES COc1cc(ccc1OC(=O)c1cccs1)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)OC(C)C)C
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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 C27H24N2O6S MW 504.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O6S/c1-16(2)34-26(31)19-8-10-20(11-9-19)29-25(30)21(17(3)28-29)14-18-7-12-22(23(15-18)33-4)35-27(32)24-6-5-13-36-24/h5-16H,1-4H3/b21-14-InChIKey
SGITXOLVINGTHU-STZFKDTASA-NSynonyms
(2METHOXY4((Z)(3METHYL5OXO1(4PROPAN2YLOXYCARBONYLPHENYL)PYRAZOL4YLIDENE)METHYL)PHENYL)THIOPHENE2CARBOXYLATE
2methoxy4((Z)(3methyl5oxo1(4((propan2yloxy)carbonyl)phenyl)15dihydro4Hpyrazol4ylidene)methyl)phenylthiophene2carboxylate
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=CC=C(C=C4)C(=O)OC(C)C
COc1cc(ccc1OC(=O)c1cccs1)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)OC(C)C)C
InChI=1SC27H24N2O6Sc116(2)3426(31)1981020(11919)2925(30)21(17(3)2829)141871222(23(1518)334)3527(32)2465133624h516H14H3b2114
MFCD02628505
ZINC000017150109
ZINC17150109
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