Vitas-M small molecule compound
(2E)-N-[(4-butylphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK141875
SMILES CCCCc1ccc(cc1)NC(=S)NC(=O)/C=C/c1cccc(c1)[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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-2-3-5-15-8-11-17(12-9-15)21-20(27)22-19(24)13-10-16-6-4-7-18(14-16)23(25)26/h4,6-14H,2-3,5H2,1H3,(H2,21,22,24,27)/b13-10+InChIKey
OYXSGIBZRCQIMO-JLHYYAGUSA-NSynonyms
(2E)N((4BUTYLPHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
(E)N((4BUTYLPHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
CCCCc1ccc(cc1)NC(=S)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H21N3O3Sc12351581117(12915)2120(27)2219(24)13101664718(1416)23(25)26h4614H235H21H3(H221222427)b1310+
MFCD03138145
ZINC000002852028
ZINC02852028
ZINC2852028
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