Vitas-M small molecule compound
2-{[1-(1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}-N-{4-[chloro(difluoro)methoxy]phenyl}acetamide
Catalog ID
STK766456
SMILES O=C(Nc1ccc(cc1)OC(Cl)(F)F)CSc1nnnn1c1ccc2c(c1)OCO2
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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 C17H12ClF2N5O4S MW 455.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClF2N5O4S/c18-17(19,20)29-12-4-1-10(2-5-12)21-15(26)8-30-16-22-23-24-25(16)11-3-6-13-14(7-11)28-9-27-13/h1-7H,8-9H2,(H,21,26)InChIKey
MIHUWMGYYYQMCR-UHFFFAOYSA-NSynonyms
2((1(13benzodioxol5yl)1Htetrazol5yl)sulfanyl)N(4(chloro(difluoro)methoxy)phenyl)acetamide
2(1(13BENZODIOXOL5YL)TETRAZOL5YL)SULFANYLN(4(CHLORO(DIFLUORO)METHOXY)PHENYL)ACETAMIDE
C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC(=O)NC4=CC=C(C=C4)OC(F)(F)Cl
InChI=1SC17H12ClF2N5O4Sc1817(1920)29124110(2512)2115(26)8301622232425(16)11361314(711)2892713h17H89H2(H2126)
MFCD03017723
ZINC000001446245
ZINC01446245
ZINC1446245
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