Vitas-M small molecule compound
2-[7,7-dimethyl-4-(3-nitrophenyl)-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
STK779423
SMILES N#Cc1c(sc2c1CCCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)[N+](=O)[O-]
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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 C28H29N3O4S MW 503.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4S/c1-28(2)14-22-26(23(32)15-28)20(17-8-7-9-18(12-17)31(34)35)13-25(33)30(22)27-21(16-29)19-10-5-3-4-6-11-24(19)36-27/h7-9,12,20H,3-6,10-11,13-15H2,1-2H3InChIKey
RNHSFQCDJFRCPQ-UHFFFAOYSA-NSynonyms
2(77dimethyl4(3nitrophenyl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(77dimethyl4(3nitrophenyl)25dioxo3468tetrahydroquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCCC4)C#N)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC28H29N3O4Sc128(2)142226(23(32)1528)20(1787918(1217)31(34)35)1325(33)30(22)2721(1629)191053461124(19)3627h791220H3610111315H212H3
MFCD05858541
N#Cc1c(sc2c1CCCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)(N+)(=O)(O)
ZINC000012402387
ZINC000012402388
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