Vitas-M small molecule compound
8-(thiophen-2-ylcarbonyl)-10-[3-(trifluoromethyl)phenyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL156448
SMILES O=C(C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1cccc(c1)C(F)(F)F)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 C26H17F3N2O3S MW 494.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17F3N2O3S/c27-26(28,29)15-6-3-7-16(13-15)31-24(33)19-20(25(31)34)22(23(32)18-9-4-12-35-18)30-11-10-14-5-1-2-8-17(14)21(19)30/h1-13,19-22HInChIKey
MCXRWGDUDUJXOW-UHFFFAOYSA-NSynonyms
(8S8aR11aS)8(thiophene2carbonyl)10(3(trifluoromethyl)phenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8(thiophen2ylcarbonyl)10(3(trifluoromethyl)phenyl)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=CC(=C6)C(F)(F)F
InChI=1SC26H17F3N2O3Sc2726(2829)1563716(1315)3124(33)1920(25(31)34)22(23(32)1894123518)30111014512817(14)21(19)30h1131922H
MFCD20757678
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1cccc(c1)C(F)(F)F)c1cccs1
ZINC000016000314
ZINC000245246454
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