Vitas-M small molecule compound
methyl 4-({6-[(4,5-dicyano-2-nitrophenyl)amino]-1,3-benzothiazol-2-yl}carbamoyl)benzoate
Catalog ID
STK862868
SMILES COC(=O)c1ccc(cc1)C(=O)Nc1nc2c(s1)cc(cc2)Nc1cc(C#N)c(cc1[N+](=O)[O-])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 C24H14N6O5S MW 498.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H14N6O5S/c1-35-23(32)14-4-2-13(3-5-14)22(31)29-24-28-18-7-6-17(10-21(18)36-24)27-19-8-15(11-25)16(12-26)9-20(19)30(33)34/h2-10,27H,1H3,(H,28,29,31)InChIKey
MSIJLXHIFHSNGJ-UHFFFAOYSA-NSynonyms
540512-85-4540512854
COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C(=C4)C#N)C#N)(N+)(=O)(O)
COC(=O)c1ccc(cc1)C(=O)Nc1nc2c(s1)cc(cc2)Nc1cc(C#N)c(cc1(N+)(=O)(O))C#N
InChI=1SC24H14N6O5Sc13523(32)144213(3514)22(31)292428187617(1021(18)3624)2719815(1125)16(1226)920(19)30(33)34h21027H1H3(H282931)
methyl4((6((45dicyano2nitrophenyl)amino)13benzothiazol2yl)carbamoyl)benzoate
methyl4((6((45dicyano2nitrophenyl)amino)benzo(d)thiazol2yl)carbamoyl)benzoate
METHYL4((6(45DICYANO2NITROANILINO)13BENZOTHIAZOL2YL)CARBAMOYL)BENZOATE
MFCD03196171
ZINC000009088613
ZINC09088613
ZINC9088613
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