Vitas-M small molecule compound
2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
Catalog ID
STK073968
SMILES N#Cc1c(NC=C2C(=O)NC(=O)NC2=O)sc2c1CCCCCCCCCC2
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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 C20H24N4O3S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O3S/c21-11-14-13-9-7-5-3-1-2-4-6-8-10-16(13)28-19(14)22-12-15-17(25)23-20(27)24-18(15)26/h12,22H,1-10H2,(H2,23,24,25,26,27)InChIKey
DBFMUHHJLSNVJT-UHFFFAOYSA-NSynonyms
2(((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carbonitrile
2((246trioxo13diazinan5ylidene)methylamino)45678910111213decahydrocyclododeca(b)thiophene3carbonitrile
C1CCCCCC2=C(CCCC1)C(=C(S2)NC=C3C(=O)NC(=O)NC3=O)C#N
InChI=1SC20H24N4O3Sc211114139753124681016(13)2819(14)22121517(25)2320(27)2418(15)26h1222H110H2(H22324252627)
MFCD03572654
N#Cc1c(NC=C2C(=O)NC(=O)NC2=O)sc2c1CCCCCCCCCC2
STK073968
ZINC000005789245
ZINC05789245
ZINC5789245
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