Vitas-M small molecule compound
prop-2-en-1-yl (2E)-5-[4-(acetyloxy)phenyl]-2-(1-ethyl-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
STK533848
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\1/c3ccccc3N(C1=O)CC)/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 C29H25N3O6S MW 543.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O6S/c1-5-15-37-28(36)22-16(3)30-29-32(24(22)18-11-13-19(14-12-18)38-17(4)33)27(35)25(39-29)23-20-9-7-8-10-21(20)31(6-2)26(23)34/h5,7-14,24H,1,6,15H2,2-4H3/b25-23+InChIKey
NNJDEWRYFOTARK-WJTDDFOZSA-NSynonyms
(E)allyl5(4acetoxyphenyl)2(1ethyl2oxoindolin3ylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=C1c3ccccc3N(C1=O)CC)s2
CCN1C2=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=1SC29H25N3O6Sc15153728(36)2216(3)302932(24(22)18111319(141218)3817(4)33)27(35)25(3929)23209781021(20)31(62)26(23)34h571424H1615H224H3b2523+
MFCD02990866
prop2en1yl(2E)5(4(acetyloxy)phenyl)2(1ethyl2oxo12dihydro3Hindol3ylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2E)5(4ACETYLOXYPHENYL)2(1ETHYL2OXOINDOL3YLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000100773471
ZINC000100773473
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