Vitas-M small molecule compound
N-[2-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-4-chlorobenzamide
Catalog ID
STK218670
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C)CCNC(=O)c1ccc(cc1)Cl
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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 C21H20ClN5O4S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4S/c1-27-18(8-9-23-20(29)13-2-4-14(22)5-3-13)25-26-21(27)32-11-19(28)24-15-6-7-16-17(10-15)31-12-30-16/h2-7,10H,8-9,11-12H2,1H3,(H,23,29)(H,24,28)InChIKey
KSHCNNRNMCSBMP-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CCNC(=O)C4=CC=C(C=C4)Cl
InChI=1SC21H20ClN5O4Sc12718(892320(29)132414(22)5313)252621(27)321119(28)2415671617(1015)31123016h2710H891112H21H3(H2329)(H2428)
MFCD07399061
N(2(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)4CHLOROBENZAMIDE
N(2(5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)4CHLOROBENZAMIDE
ZINC000009263457
ZINC09263457
ZINC9263457
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