Vitas-M small molecule compound
4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide
Catalog ID
STK455757
SMILES COc1cc(CCNC(=S)N2CCN(CC2)C(=O)c2sc3c(c2Cl)ccc(c3)[N+](=O)[O-])ccc1OC
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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 C24H25ClN4O5S2 MW 549.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN4O5S2/c1-33-18-6-3-15(13-19(18)34-2)7-8-26-24(35)28-11-9-27(10-12-28)23(30)22-21(25)17-5-4-16(29(31)32)14-20(17)36-22/h3-6,13-14H,7-12H2,1-2H3,(H,26,35)InChIKey
ZZZGYHFDYAWYOF-UHFFFAOYSA-NSynonyms
4(((2(34DIMETHOXYPHENYL)ETHYL)AMINO)THIOXOMETHYL)PIPERAZINYL3CHLORO6NITROBENZO(B)THIOPHEN2YLKETONE
4((3chloro6nitro1benzothiophen2yl)carbonyl)N(2(34dimethoxyphenyl)ethyl)piperazine1carbothioamide
4(3CHLORO6NITRO1BENZOTHIOPHENE2CARBONYL)N(2(34DIMETHOXYPHENYL)ETHYL)PIPERAZINE1CARBOTHIOAMIDE
COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl)OC
COc1cc(CCNC(=S)N2CCN(CC2)C(=O)c2sc3c(c2Cl)ccc(c3)(N+)(=O)(O))ccc1OC
InChI=1SC24H25ClN4O5S2c133186315(1319(18)342)782624(35)2811927(101228)23(30)2221(25)175416(29(31)32)1420(17)3622h361314H712H212H3(H2635)
MFCD04137216
ZINC000059772072
ZINC59772072
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