Vitas-M small molecule compound

methyl 4-cyano-3-methyl-5-({[3-nitro-4-(pyrrolidin-1-yl)phenyl]carbonyl}amino)thiophene-2-carboxylate

Catalog ID
STK231626
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1

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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 C19H18N4O5S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O5S/c1-11-13(10-20)18(29-16(11)19(25)28-2)21-17(24)12-5-6-14(15(9-12)23(26)27)22-7-3-4-8-22/h5-6,9H,3-4,7-8H2,1-2H3,(H,21,24)
InChIKey
CYOUDQXRKYUGEM-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C=C2)N3CCCC3)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCC1
InChI=1SC19H18N4O5Sc11113(1020)18(2916(11)19(25)282)2117(24)125614(15(912)23(26)27)22734822h569H3478H212H3(H2124)
methyl4cyano3methyl5(((3nitro4(pyrrolidin1yl)phenyl)carbonyl)amino)thiophene2carboxylate
METHYL4CYANO3METHYL5((3NITRO4PYRROLIDIN1YLBENZOYL)AMINO)THIOPHENE2CARBOXYLATE
MFCD05852215
ZINC000004736781
ZINC04736781
ZINC4736781

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Available files

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