Vitas-M small molecule compound
(3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
Catalog ID
STK538497
SMILES Clc1c2ccccc2sc1C(=O)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)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 C19H17ClN2OS MW 356.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2OS/c1-9-14-12(8-11-15(14)19(11,2)3)22(21-9)18(23)17-16(20)10-6-4-5-7-13(10)24-17/h4-7,11,15H,8H2,1-3H3/t11-,15-/m1/s1InChIKey
GATWXWVOWDQARF-IAQYHMDHSA-NSynonyms
294660-45-0(3chloro1benzothiophen2yl)((3bS4aR)344trimethyl3b44a5tetrahydro1Hcyclopropa(34)cyclopenta(12c)pyrazol1yl)methanone
(3chlorobenzo(b)thiophen2yl)((3bS4aR)344trimethyl3b44a5tetrahydro1Hcyclopropa(34)cyclopenta(12c)pyrazol1yl)methanone
294660450
CC1=NN(C2=C1C3C(C2)C3(C)C)C(=O)C4=C(C5=CC=CC=C5S4)Cl
Clc1c2ccccc2sc1C(=O)n1nc(c2c1C(C@@H)1(C@H)2C1(C)C)C
InChI=1SC19H17ClN2OSc191412(81115(14)19(112)3)22(219)18(23)1716(20)10645713(10)2417h471115H8H213H3t1115m1s1
MFCD18241708
ZINC000000751933
ZINC00751933
ZINC751933
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