Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-[4-(acetyloxy)phenyl]-2-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794491
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/1\c3ccccc3N(C1=O)CCCC)/s2
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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 C31H29N3O6S MW 571.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O6S/c1-5-7-16-33-23-11-9-8-10-22(23)25(28(33)36)27-29(37)34-26(20-12-14-21(15-13-20)40-19(4)35)24(30(38)39-17-6-2)18(3)32-31(34)41-27/h6,8-15,26H,2,5,7,16-17H2,1,3-4H3/b27-25-InChIKey
QOVDNKQFMHKURJ-RFBIWTDZSA-NSynonyms
(E)allyl5(4acetoxyphenyl)2(1butyl2oxoindolin3ylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
4(2(1BUTYL2OXOBENZO(D)AZOLIN3YLIDENE)7METHYL3OXO6(PROP2ENYLOXYCARBONYL)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN5YL)PHENYLACETATE
ALLYL5(4(ACETYLOXY)PHENYL)2(1BUTYL2OXO12DIHYDRO3HINDOL3YLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=C1c3ccccc3N(C1=O)CCCC)s2
CCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=C(C=C5)OC(=O)C)C1=O
InChI=1SC31H29N3O6Sc15716332311981022(23)25(28(33)36)2729(37)3426(20121421(151320)4019(4)35)24(30(38)391762)18(3)3231(34)4127h681526H2571617H2134H3b2725
MFCD03088915
prop2en1yl(2Z)5(4(acetyloxy)phenyl)2(1butyl2oxo12dihydro3Hindol3ylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2Z)5(4acetyloxyphenyl)2(1butyl2oxoindol3ylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000001774798
ZINC000097944333
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