Vitas-M small molecule compound
2-chloro-N-[3-(5-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide
Catalog ID
STL352328
SMILES O=C(NC1CC1)CSc1nnc(n1C)c1cccc(c1)NC(=O)c1ccccc1Cl
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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 C21H20ClN5O2S MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O2S/c1-27-19(25-26-21(27)30-12-18(28)23-14-9-10-14)13-5-4-6-15(11-13)24-20(29)16-7-2-3-8-17(16)22/h2-8,11,14H,9-10,12H2,1H3,(H,23,28)(H,24,29)InChIKey
IYIUREDMHORJMP-UHFFFAOYSA-NSynonyms
500265-13-42chloroN(3(5((2(cyclopropylamino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)phenyl)benzamide
2chloroN(3(5((2(cyclopropylamino)2oxoethyl)thio)4methyl4H124triazol3yl)phenyl)benzamide
2CHLORON(3(5(2(CYCLOPROPYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)PHENYL)BENZAMIDE
500265134
CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4Cl
InChI=1SC21H20ClN5O2Sc12719(252621(27)301218(28)231491014)1354615(1113)2420(29)16723817(16)22h281114H91012H21H3(H2328)(H2429)
MFCD03273337
ZINC000002200144
ZINC02200144
ZINC2200144
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