Vitas-M small molecule compound
(5Z)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704723
SMILES COc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1cccs1)c1ccccc1
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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 C25H16N6O4S2 MW 528.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16N6O4S2/c1-35-19-10-9-15(12-18(19)31(33)34)22-16(14-29(27-22)17-6-3-2-4-7-17)13-21-24(32)30-25(37-21)26-23(28-30)20-8-5-11-36-20/h2-14H,1H3/b21-13-InChIKey
UFDVNUJOWXFEQR-BKUYFWCQSA-NSynonyms
(5Z)5((3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)2(thiophen2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4METHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2THIOPHEN2YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CS5)S3)C6=CC=CC=C6)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1cccs1)c1ccccc1
InChI=1SC25H16N6O4S2c1351910915(1218(19)31(33)34)2216(1429(2722)176324717)132124(32)3025(3721)2623(2830)2085113620h214H1H3b2113
MFCD03534409
ZINC000098046296
ZINC98046296
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