Vitas-M small molecule compound

ethyl 4-(1,3-benzodioxol-5-yl)-2-oxo-6-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK683635
SMILES C=CCn1c(SCC2=C(C(=O)OCC)C(NC(=O)N2)c2ccc3c(c2)OCO3)nnc1c1cccs1

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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 C24H23N5O5S2 MW 525.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O5S2/c1-3-9-29-21(18-6-5-10-35-18)27-28-24(29)36-12-15-19(22(30)32-4-2)20(26-23(31)25-15)14-7-8-16-17(11-14)34-13-33-16/h3,5-8,10-11,20H,1,4,9,12-13H2,2H3,(H2,25,26,31)
InChIKey
DURADYKHKZRBSW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=NN=C(N4CC=C)C5=CC=CS5
ethyl4(13benzodioxol5yl)2oxo6(((4(prop2en1yl)5(thiophen2yl)4H124triazol3yl)sulfanyl)methyl)1234tetrahydropyrimidine5carboxylate
ETHYL4(13BENZODIOXOL5YL)2OXO6((4PROP2ENYL5THIOPHEN2YL124TRIAZOL3YL)SULFANYLMETHYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC24H23N5O5S2c1392921(1865103518)272824(29)36121519(22(30)3242)20(2623(31)2515)14781617(1114)34133316h358101120H1491213H22H3(H2252631)
MFCD05258435
ZINC000098006167
ZINC000098006168

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Available files

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