Vitas-M small molecule compound
(5Z)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-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
STK817084
SMILES CC1Oc2c(C1)cc(cc2)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 C27H19N5O2S2 MW 509.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N5O2S2/c1-16-12-18-13-17(9-10-21(18)34-16)24-19(15-31(29-24)20-6-3-2-4-7-20)14-23-26(33)32-27(36-23)28-25(30-32)22-8-5-11-35-22/h2-11,13-16H,12H2,1H3/b23-14-InChIKey
VFYKNKKBNPZXTI-UCQKPKSFSA-NSynonyms
(5Z)5((3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)2(thiophen2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(2METHYL23DIHYDRO1BENZOFURAN5YL)1PHENYLPYRAZOL4YL)METHYLIDENE)2THIOPHEN2YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C(=NC(=N5)C6=CC=CS6)S4)C7=CC=CC=C7
CC1Oc2c(C1)cc(cc2)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1cccs1)c1ccccc1
InChI=1SC27H19N5O2S2c11612181317(91021(18)3416)2419(1531(2924)206324720)142326(33)3227(3623)2825(3032)2285113522h2111316H12H21H3b2314
MFCD03534785
ZINC000016733943
ZINC000016733946
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