Vitas-M small molecule compound
(2E)-N-{[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
Catalog ID
STK255408
SMILES S=C(Nc1cc(ccc1Cl)c1nc2c(o1)c(C)cc(c2)C)NC(=O)/C=C/c1ccc(o1)c1cccc(c1Cl)Cl
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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 C29H20Cl3N3O3S MW 596.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20Cl3N3O3S/c1-15-12-16(2)27-23(13-15)33-28(38-27)17-6-9-20(30)22(14-17)34-29(39)35-25(36)11-8-18-7-10-24(37-18)19-4-3-5-21(31)26(19)32/h3-14H,1-2H3,(H2,34,35,36,39)/b11-8+InChIKey
NCAMRTUJPHUHEQ-DHZHZOJOSA-NSynonyms
(2E)N((2chloro5(57dimethyl13benzoxazol2yl)phenyl)carbamothioyl)3(5(23dichlorophenyl)furan2yl)prop2enamide
(E)N((2CHLORO5(57DIMETHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3(5(23DICHLOROPHENYL)FURAN2YL)PROP2ENAMIDE
CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=C(C(=CC=C5)Cl)Cl)C
InChI=1SC29H20Cl3N3O3Sc1151216(2)2723(1315)3328(3827)176920(30)22(1417)3429(39)3525(36)1181871024(3718)1943521(31)26(19)32h314H12H3(H234353639)b118+
MFCD06150441
S=C(Nc1cc(ccc1Cl)c1nc2c(o1)c(C)cc(c2)C)NC(=O)C=Cc1ccc(o1)c1cccc(c1Cl)Cl
ZINC000097966256
ZINC97966256
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