Vitas-M small molecule compound
N-{[5-({2-[(2-bromo-4,6-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK123695
SMILES C=CCn1c(SCC(=O)Nc2c(F)cc(cc2Br)F)nnc1CNC(=O)c1cccc(c1)C
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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 C22H20BrF2N5O2S MW 536.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrF2N5O2S/c1-3-7-30-18(11-26-21(32)14-6-4-5-13(2)8-14)28-29-22(30)33-12-19(31)27-20-16(23)9-15(24)10-17(20)25/h3-6,8-10H,1,7,11-12H2,2H3,(H,26,32)(H,27,31)InChIKey
KSCFEBQKHKVOER-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3Br)F)F
InChI=1SC22H20BrF2N5O2Sc1373018(112621(32)1464513(2)814)282922(30)331219(31)272016(23)915(24)1017(20)25h36810H171112H22H3(H2632)(H2731)
MFCD04218701
N((5((2((2BROMO46DIFLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(2BROMO46DIFLUOROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000001113516
ZINC1113516
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