Vitas-M small molecule compound
10-[4-chloro-3-(trifluoromethyl)phenyl]-8-(thiophen-2-ylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL346461
SMILES O=C(C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1ccc(c(c1)C(F)(F)F)Cl)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 C26H16ClF3N2O3S MW 528.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16ClF3N2O3S/c27-17-8-7-14(12-16(17)26(28,29)30)32-24(34)19-20(25(32)35)22(23(33)18-6-3-11-36-18)31-10-9-13-4-1-2-5-15(13)21(19)31/h1-12,19-22HInChIKey
KPPDUMYJYDSJOF-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(4chloro3(trifluoromethyl)phenyl)8(thiophene2carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
10(4chloro3(trifluoromethyl)phenyl)8(thiophen2ylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)C5=CC=CS5)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)C(F)(F)F
InChI=1SC26H16ClF3N2O3Sc27178714(1216(17)26(2829)30)3224(34)1920(25(32)35)22(23(33)1863113618)3110913412515(13)21(19)31h1121922H
MFCD07206023
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc(c(c1)C(F)(F)F)Cl)c1cccs1
ZINC000101177080
ZINC000245240057
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