Vitas-M small molecule compound

methyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-[2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK794261
SMILES C=CCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2ccc(cc2)C(C)(C)C)C(=O)OC)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 C30H29N3O4S MW 527.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O4S/c1-7-16-32-21-11-9-8-10-20(21)23(26(32)34)25-27(35)33-24(18-12-14-19(15-13-18)30(3,4)5)22(28(36)37-6)17(2)31-29(33)38-25/h7-15,24H,1,16H2,2-6H3/b25-23-
InChIKey
VPGWSSOHFCNRFU-BZZOAKBMSA-N
Synonyms

(Z)methyl2(1allyl2oxoindolin3ylidene)5(4(tertbutyl)phenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCN1c2ccccc2C(=c2sc3=NC(=C(C(n3c2=O)c2ccc(cc2)C(C)(C)C)C(=O)OC)C)C1=O
CC1=C(C(N2C(=O)C(=C3C4=CC=CC=C4N(C3=O)CC=C)SC2=N1)C5=CC=C(C=C5)C(C)(C)C)C(=O)OC
InChI=1SC30H29N3O4Sc1716322111981020(21)23(26(32)34)2527(35)3324(18121419(151318)30(34)5)22(28(36)376)17(2)3129(33)3825h71524H116H226H3b2523
methyl(2Z)5(4tertbutylphenyl)7methyl3oxo2(2oxo1(prop2en1yl)12dihydro3Hindol3ylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)5(4tertbutylphenyl)7methyl3oxo2(2oxo1prop2enylindol3ylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD01957817
ZINC000001813848
ZINC000001813850

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Available files

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