Vitas-M small molecule compound
(3-chloro-1-benzothiophen-2-yl)[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3,4-dihydroquinolin-1(2H)-yl]methanone
Catalog ID
STL051867
SMILES Cc1ccc(cc1)C1(C)CC(C)(C)N(c2c1cc(cc2)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1sc2c(c1Cl)cccc2
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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 C47H40ClNOS MW 702.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H40ClNOS/c1-32-24-26-33(27-25-32)46(4)31-45(2,3)49(44(50)43-42(48)38-22-14-15-23-41(38)51-43)40-29-28-37(30-39(40)46)47(34-16-8-5-9-17-34,35-18-10-6-11-19-35)36-20-12-7-13-21-36/h5-30H,31H2,1-4H3InChIKey
UWIJEZVQGPJSKJ-UHFFFAOYSA-NSynonyms
(3chloro1benzothiophen2yl)(224trimethyl4(4methylphenyl)6trityl34dihydroquinolin1(2H)yl)methanone
(3CHLORO1BENZOTHIOPHEN2YL)(224TRIMETHYL4(4METHYLPHENYL)6TRITYL3HQUINOLIN1YL)METHANONE
(3chlorobenzo(b)thiophen2yl)(224trimethyl4(ptolyl)6trityl34dihydroquinolin1(2H)yl)methanone
CC1=CC=C(C=C1)C2(CC(N(C3=C2C=C(C=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C7=C(C8=CC=CC=C8S7)Cl)(C)C)C
InChI=1SC47H40ClNOSc132242633(272532)46(4)3145(23)49(44(50)4342(48)382214152341(38)5143)40292837(3039(40)46)47(341685917343518106111935)3620127132136h530H31H214H3
MFCD03006809
ZINC000150444386
ZINC000150444390
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