Vitas-M small molecule compound
ethyl (2-{[({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
Catalog ID
STK484138
SMILES C=CCn1c(SCC(=O)Nc2scc(n2)CC(=O)OCC)nnc1Cc1cccn1C
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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 C20H24N6O3S2 MW 460.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O3S2/c1-4-8-26-16(11-15-7-6-9-25(15)3)23-24-20(26)31-13-17(27)22-19-21-14(12-30-19)10-18(28)29-5-2/h4,6-7,9,12H,1,5,8,10-11,13H2,2-3H3,(H,21,22,27)InChIKey
JHJSVTRZZIEDEZ-UHFFFAOYSA-NSynonyms
CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CN3C
ethyl(2((((5((1methyl1Hpyrrol2yl)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)13thiazol4yl)acetate
ethyl2(2((2((5((1methylpyrrol2yl)methyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)13thiazol4yl)acetate
ETHYL2(2(2(5((1METHYLPYRROL2YL)METHYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)13THIAZOL4YL)ACETATE
InChI=1SC20H24N6O3S2c1482616(111576925(15)3)232420(26)311317(27)22192114(123019)1018(28)2952h467912H158101113H223H3(H212227)
MFCD06176706
ZINC000013325557
ZINC13325557
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