Vitas-M small molecule compound
4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c]chromen-4-yl)-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Catalog ID
STK677520
SMILES CCOc1cc(cc(c1OC(=O)c1cccs1)[N+](=O)[O-])C1C(=C(N)Oc2c1c(=O)oc1c2cccc1)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 C26H17N3O8S MW 531.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17N3O8S/c1-2-34-18-11-13(10-16(29(32)33)23(18)37-25(30)19-8-5-9-38-19)20-15(12-27)24(28)36-22-14-6-3-4-7-17(14)35-26(31)21(20)22/h3-11,20H,2,28H2,1H3InChIKey
FQERKANDQGKECL-UHFFFAOYSA-NSynonyms
(4(2AMINO3CYANO5OXO4HPYRANO(32C)CHROMEN4YL)2ETHOXY6NITROPHENYL)THIOPHENE2CARBOXYLATE
4(2AMINO3CYANO5OXO(4HPYRANO(32C)CHROMEN4YL))6ETHOXY2NITROPHENYLTHIOPHENE2CARBOXYLATE
4(2amino3cyano5oxo4H5Hpyrano(32c)chromen4yl)2ethoxy6nitrophenylthiophene2carboxylate
CCOC1=CC(=CC(=C1OC(=O)C2=CC=CS2)(N+)(=O)(O))C3C(=C(OC4=C3C(=O)OC5=CC=CC=C54)N)C#N
CCOc1cc(cc(c1OC(=O)c1cccs1)(N+)(=O)(O))C1C(=C(N)Oc2c1c(=O)oc1c2cccc1)C#N
InChI=1SC26H17N3O8Sc1234181113(1016(29(32)33)23(18)3725(30)198593819)2015(1227)24(28)362214634717(14)3526(31)21(20)22h31120H228H21H3
MFCD03035529
ZINC000059677342
ZINC000059677346
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