Vitas-M small molecule compound
methyl 4-{(3aS,4R,9bR)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoate
Catalog ID
STK112821
SMILES COc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)C(=O)OC
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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 C27H26N2O5S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S/c1-33-20-12-10-19(11-13-20)29-35(31,32)21-14-15-25-24(16-21)22-4-3-5-23(22)26(28-25)17-6-8-18(9-7-17)27(30)34-2/h3-4,6-16,22-23,26,28-29H,5H2,1-2H3/t22-,23+,26+/m1/s1InChIKey
CPBFYPBQPSTYSI-UMFSSWHCSA-NSynonyms
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)OC
COc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccc(cc1)C(=O)OC
InChI=1SC27H26N2O5Sc13320121019(111320)2935(3132)2114152524(1621)2243523(22)26(2825)176818(9717)27(30)342h346162223262829H5H212H3t2223+26+m1s1
METHYL4((3AS4R9BR)8((4METHOXYPHENYL)SULFAMOYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)BENZOATE
MFCD13368414
ZINC000009763721
ZINC09763721
ZINC9763721
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