Vitas-M small molecule compound
(5E)-2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK814752
SMILES COc1cc(ccc1OCC(C)C)/C=c\1/sc2n(c1=O)nc(n2)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 C22H20ClN3O3S MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O3S/c1-13(2)12-29-17-9-4-14(10-18(17)28-3)11-19-21(27)26-22(30-19)24-20(25-26)15-5-7-16(23)8-6-15/h4-11,13H,12H2,1-3H3/b19-11+InChIKey
BHRRHJMUHTYZKY-YBFXNURJSA-NSynonyms
(5E)2(4CHLOROPHENYL)5((3METHOXY4(2METHYLPROPOXY)PHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4chlorophenyl)5(3methoxy4(2methylpropoxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CC(C)COC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Cl)S2)OC
COc1cc(ccc1OCC(C)C)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Cl
InChI=1SC22H20ClN3O3Sc113(2)1229179414(1018(17)283)111921(27)2622(3019)2420(2526)155716(23)8615h41113H12H213H3b1911+
MFCD04442301
ZINC000002533662
ZINC02533662
ZINC2533662
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