Vitas-M small molecule compound

prop-2-en-1-yl (2Z)-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
STK534026
SMILES CCCCN1C(=O)/C(=c/2\sc3=NC(=C(C(n3c2=O)c2ccc(cc2)OC)C(=O)OCC=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 C30H29N3O5S MW 543.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O5S/c1-5-7-16-32-22-11-9-8-10-21(22)24(27(32)34)26-28(35)33-25(19-12-14-20(37-4)15-13-19)23(29(36)38-17-6-2)18(3)31-30(33)39-26/h6,8-15,25H,2,5,7,16-17H2,1,3-4H3/b26-24-
InChIKey
KSRRSYPFLVJTSF-LCUIJRPUSA-N
Synonyms

(Z)allyl2(1butyl2oxoindolin3ylidene)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCCCN1C(=O)C(=c2sc3=NC(=C(C(n3c2=O)c2ccc(cc2)OC)C(=O)OCC=C)C)c2c1cccc2
CCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=C(C=C5)OC)C1=O
InChI=1SC30H29N3O5Sc15716322211981021(22)24(27(32)34)2628(35)3325(19121420(374)151319)23(29(36)381762)18(3)3130(33)3926h681525H2571617H2134H3b2624
MFCD01958576
prop2en1yl(2Z)2(1butyl2oxo12dihydro3Hindol3ylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2Z)2(1butyl2oxoindol3ylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000100727476
ZINC000100727478

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.