Vitas-M small molecule compound
(5Z)-2-(furan-2-yl)-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK819039
SMILES CC(Oc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccco1)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 C27H21N5O3S MW 495.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O3S/c1-17(2)35-21-12-10-18(11-13-21)24-19(16-31(29-24)20-7-4-3-5-8-20)15-23-26(33)32-27(36-23)28-25(30-32)22-9-6-14-34-22/h3-17H,1-2H3/b23-15-InChIKey
KKBMKXUKQIIBPT-HAHDFKILSA-NSynonyms
(5Z)2(furan2yl)5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(FURAN2YL)5((1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CO5)S3)C6=CC=CC=C6
CC(Oc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccco1)c1ccccc1)C
InChI=1SC27H21N5O3Sc117(2)3521121018(111321)2419(1631(2924)207435820)152326(33)3227(3623)2825(3032)2296143422h317H12H3b2315
MFCD04448172
ZINC000016737164
ZINC16737164
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