Vitas-M small molecule compound
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Catalog ID
STK764916
SMILES CCOc1cc(cc(c1OC(=O)c1cccs1)[N+](=O)[O-])C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#N
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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 C25H23N3O7S MW 509.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O7S/c1-4-33-17-9-13(8-15(28(31)32)22(17)35-24(30)19-6-5-7-36-19)20-14(12-26)23(27)34-18-11-25(2,3)10-16(29)21(18)20/h5-9,20H,4,10-11,27H2,1-3H3InChIKey
QDCRFSXDVDPRPF-UHFFFAOYSA-NSynonyms
(4(2AMINO3CYANO77DIMETHYL5OXO68DIHYDRO4HCHROMEN4YL)2ETHOXY6NITROPHENYL)THIOPHENE2CARBOXYLATE
4(2amino3cyano77dimethyl5oxo5678tetrahydro4Hchromen4yl)2ethoxy6nitrophenylthiophene2carboxylate
CCOC1=CC(=CC(=C1OC(=O)C2=CC=CS2)(N+)(=O)(O))C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N
CCOc1cc(cc(c1OC(=O)c1cccs1)(N+)(=O)(O))C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#N
InChI=1SC25H23N3O7Sc143317913(815(28(31)32)22(17)3524(30)196573619)2014(1226)23(27)34181125(23)1016(29)21(18)20h5920H4101127H213H3
MFCD03035412
ZINC000003672407
ZINC000003672408
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