Vitas-M small molecule compound
2-[4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Catalog ID
STK779506
SMILES N#Cc1c(sc2c1CCCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1ccc2c(c1)OCO2
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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 C29H30N2O4S MW 502.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O4S/c1-29(2)13-21-27(22(32)14-29)19(17-9-10-23-24(11-17)35-16-34-23)12-26(33)31(21)28-20(15-30)18-7-5-3-4-6-8-25(18)36-28/h9-11,19H,3-8,12-14,16H2,1-2H3InChIKey
ILSOCMKOAUVDKB-UHFFFAOYSA-NSynonyms
2(4(13benzodioxol5yl)77dimethyl25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(4(13benzodioxol5yl)77dimethyl25dioxo3468tetrahydroquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCCC4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI=1SC29H30N2O4Sc129(2)132127(22(32)1429)19(179102324(1117)35163423)1226(33)31(21)2820(1530)1875346825(18)3628h91119H38121416H212H3
MFCD05858624
ZINC000001429761
ZINC000001429762
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