Vitas-M small molecule compound
(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904846
SMILES CC(CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccccc1)c1ccccc1)C
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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 C33H29N5O2S MW 559.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O2S/c1-23(2)19-20-40-28-16-14-25(15-17-28)31-26(22-37(36-31)27-11-7-4-8-12-27)21-29-32(39)38-33(41-29)34-30(35-38)18-13-24-9-5-3-6-10-24/h3-18,21-23H,19-20H2,1-2H3/b18-13+,29-21-InChIKey
DHDDTGOGSFBMOG-QUPQTCDRSA-NSynonyms
(5Z)5((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4(3methylbutoxy)phenyl)1phenylpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C=CC5=CC=CC=C5)S3)C6=CC=CC=C6
CC(CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1)c1ccccc1)C
InChI=1SC33H29N5O2Sc123(2)19204028161425(151728)3126(2237(3631)27117481227)212932(39)3833(4129)3430(3538)18132495361024h3182123H1920H212H3b1813+2921
MFCD07480796
ZINC000097947345
ZINC97947345
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