Vitas-M small molecule compound

ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-{[1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK522644
SMILES C=CCn1cc(c2c1cccc2)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc2c(c1)OCO2)C(=O)OCC)C

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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 C29H25N3O5S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O5S/c1-4-12-31-15-19(20-8-6-7-9-21(20)31)14-24-27(33)32-26(18-10-11-22-23(13-18)37-16-36-22)25(28(34)35-5-2)17(3)30-29(32)38-24/h4,6-11,13-15,26H,1,5,12,16H2,2-3H3/b24-14-
InChIKey
AZXLPILQWSAYSK-OYKKKHCWSA-N
Synonyms

C=CCn1cc(c2c1cccc2)C=c1sc2=NC(=C(C(n2c1=O)c1ccc2c(c1)OCO2)C(=O)OCC)C
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CN(C6=CC=CC=C65)CC=C)S2)C
ethyl(2Z)5(13benzodioxol5yl)7methyl3oxo2((1(prop2en1yl)1Hindol3yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(13BENZODIOXOL5YL)7METHYL3OXO2((1PROP2ENYLINDOL3YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H25N3O5Sc1412311519(20867921(20)31)142427(33)3226(1810112223(1318)37163622)25(28(34)3552)17(3)3029(32)3824h4611131526H151216H223H3b2414
MFCD01593468
ZINC000000707537
ZINC000000707539

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Available files

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