Vitas-M small molecule compound
ethyl 4-({[3-methyl-5-{[(4-nitrophenyl)carbonyl]amino}-4-(propanoyloxy)thiophen-2-yl]carbonyl}amino)benzoate
Catalog ID
STL170200
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1sc(c(c1C)OC(=O)CC)NC(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C25H23N3O8S MW 525.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O8S/c1-4-19(29)36-20-14(3)21(23(31)26-17-10-6-16(7-11-17)25(32)35-5-2)37-24(20)27-22(30)15-8-12-18(13-9-15)28(33)34/h6-13H,4-5H2,1-3H3,(H,26,31)(H,27,30)InChIKey
ILRNJOBYFMVVKK-UHFFFAOYSA-NSynonyms
329077-95-4329077954
5(N(4(ETHOXYCARBONYL)PHENYL)CARBAMOYL)4METHYL2((4NITROPHENYL)CARBONYLAMINO)3THIENYLPROPANOATE
CCC(=O)OC1=C(SC(=C1C)C(=O)NC2=CC=C(C=C2)C(=O)OCC)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NC(=O)c1sc(c(c1C)OC(=O)CC)NC(=O)c1ccc(cc1)(N+)(=O)(O)
ethyl4(((3methyl5(((4nitrophenyl)carbonyl)amino)4(propanoyloxy)thiophen2yl)carbonyl)amino)benzoate
ETHYL4(((5((4NITROBENZOYL)AMINO)3METHYL4(PROPIONYLOXY)2THIENYL)CARBONYL)AMINO)BENZOATE
ETHYL4((3METHYL5((4NITROBENZOYL)AMINO)4PROPANOYLOXYTHIOPHENE2CARBONYL)AMINO)BENZOATE
InChI=1SC25H23N3O8Sc1419(29)362014(3)21(23(31)261710616(71117)25(32)3552)3724(20)2722(30)1581218(13915)28(33)34h613H45H213H3(H2631)(H2730)
MFCD01450906
ZINC000008399218
ZINC08399218
ZINC8399218
Check stock
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Check stock on Vitas-MAvailable files
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