Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794497
SMILES CCCCCCCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2ccccc2)C(=O)OCC=C)C)/C1=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 C32H33N3O4S MW 555.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O4S/c1-4-6-7-8-14-19-34-24-18-13-12-17-23(24)26(29(34)36)28-30(37)35-27(22-15-10-9-11-16-22)25(31(38)39-20-5-2)21(3)33-32(35)40-28/h5,9-13,15-18,27H,2,4,6-8,14,19-20H2,1,3H3/b28-26-InChIKey
ILFMCEPXGNQUAT-SGEDCAFJSA-NSynonyms
(E)allyl2(1heptyl2oxoindolin3ylidene)7methyl3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=CC=C5)C1=O
CCCCCCCN1c2ccccc2C(=c2sc3=NC(=C(C(n3c2=O)c2ccccc2)C(=O)OCC=C)C)C1=O
InChI=1SC32H33N3O4Sc14678141934241813121723(24)26(29(34)36)2830(37)3527(2215109111622)25(31(38)392052)21(3)3332(35)4028h5913151827H2468141920H213H3b2826
MFCD03088920
prop2en1yl(2Z)2(1heptyl2oxo12dihydro3Hindol3ylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2Z)2(1heptyl2oxoindol3ylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000100842472
ZINC000100842473
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