Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757833
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2
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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 C30H32N4O3S MW 528.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O3S/c1-30(2)13-21-27(22(35)14-30)26(17-10-11-23(36-3)24(12-17)37-4)20(16-32)28(33)34(21)29-19(15-31)18-8-6-5-7-9-25(18)38-29/h10-12,26H,5-9,13-14,33H2,1-4H3InChIKey
YTIPOPWTVVLZGD-UHFFFAOYSA-NSynonyms
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(34dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(34dimethoxyphenyl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C#N)N)C#N)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C
InChI=1SC30H32N4O3Sc130(2)132127(22(35)1430)26(17101123(363)24(1217)374)20(1632)28(33)34(21)2919(1531)188657925(18)3829h101226H59131433H214H3
MFCD01305104
ZINC000002188801
ZINC000002188802
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