Vitas-M small molecule compound
2-[(4S,7S)-3,5-dioxo-2-phenyl-7-(thiophen-2-yl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrazolo[3,4-b]quinolin-4-yl]benzoic acid
Catalog ID
STK333847
SMILES O=C1C[C@H](CC2=C1[C@H](c1ccccc1C(=O)O)c1c(N2)[nH]n(c1=O)c1ccccc1)c1cccs1
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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 C27H21N3O4S MW 483.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O4S/c31-20-14-15(21-11-6-12-35-21)13-19-23(20)22(17-9-4-5-10-18(17)27(33)34)24-25(28-19)29-30(26(24)32)16-7-2-1-3-8-16/h1-12,15,22,28-29H,13-14H2,(H,33,34)/t15-,22-/m0/s1InChIKey
IPSCYKABELUBNQ-NYHFZMIOSA-NSynonyms
2((4S7S)35dioxo2phenyl7(thiophen2yl)23456789octahydro1Hpyrazolo(34b)quinolin4yl)benzoicacid
2((4S7S)35dioxo2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinolin4yl)benzoicacid
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=CC=C4C(=O)O)C(=O)N(N3)C5=CC=CC=C5)C6=CC=CS6
InChI=1SC27H21N3O4Sc31201415(21116123521)131923(20)22(179451018(17)27(33)34)2425(2819)2930(26(24)32)167213816h11215222829H1314H2(H3334)t1522m0s1
MFCD13368620
O=C1C(C@H)(CC2=C1(C@H)(c1ccccc1C(=O)O)c1c(N2)(nH)n(c1=O)c1ccccc1)c1cccs1
ZINC000018196377
ZINC18196377
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