Vitas-M small molecule compound
propan-2-yl (2E)-2-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK698055
SMILES CCCCN1C(=O)/C(=c\2/sc3=NC(=C(C(n3c2=O)c2ccc(cc2)OC)C(=O)OC(C)C)C)/c2c1cccc2
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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 C30H31N3O5S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O5S/c1-6-7-16-32-22-11-9-8-10-21(22)24(27(32)34)26-28(35)33-25(19-12-14-20(37-5)15-13-19)23(29(36)38-17(2)3)18(4)31-30(33)39-26/h8-15,17,25H,6-7,16H2,1-5H3/b26-24+InChIKey
HGVBCOUCQHHWPY-SHHOIMCASA-NSynonyms
(E)isopropyl2(1butyl2oxoindolin3ylidene)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCCCN1C(=O)C(=c2sc3=NC(=C(C(n3c2=O)c2ccc(cc2)OC)C(=O)OC(C)C)C)c2c1cccc2
CCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)OC)C1=O
InChI=1SC30H31N3O5Sc16716322211981021(22)24(27(32)34)2628(35)3325(19121420(375)151319)23(29(36)3817(2)3)18(4)3130(33)3926h8151725H6716H215H3b2624+
MFCD02991748
propan2yl(2E)2(1butyl2oxo12dihydro3Hindol3ylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2E)2(1BUTYL2OXOINDOL3YLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097951126
ZINC000097951127
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