Vitas-M small molecule compound
3-{[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]carbonyl}-9H-thioxanthen-9-one 10,10-dioxide
Catalog ID
STK538091
SMILES Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)c1c(C2=O)cccc1
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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 C24H20N2O4S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O4S/c1-12-20-17(11-16-21(20)24(16,2)3)26(25-12)23(28)13-8-9-15-19(10-13)31(29,30)18-7-5-4-6-14(18)22(15)27/h4-10,16,21H,11H2,1-3H3/t16-,21-/m1/s1InChIKey
FQAZSDGOMZMZSF-IIBYNOLFSA-NSynonyms
956385-06-13(((3bS4aR)344trimethyl3b44a5tetrahydro1Hcyclopropa(34)cyclopenta(12c)pyrazol1yl)carbonyl)9Hthioxanthen9one1010dioxide
3((3bS4aR)344trimethyl3b44a5tetrahydro1Hcyclopropa(34)cyclopenta(12c)pyrazole1carbonyl)9Hthioxanthen9one1010dioxide
956385061
CC1=NN(C2=C1C3C(C2)C3(C)C)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O
Cc1nn(c2c1(C@H)1(C@@H)(C2)C1(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)c1c(C2=O)cccc1
InChI=1SC24H20N2O4Sc1122017(111621(20)24(162)3)26(2512)23(28)13891519(1013)31(2930)18754614(18)22(15)27h4101621H11H213H3t1621m1s1
MFCD18241697
ZINC000002312120
ZINC02312120
ZINC2312120
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