Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carbothioamide
Catalog ID
STK456396
SMILES S=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])Nc1ccc2c(c1)OCO2
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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 C21H17ClN4O5S2 MW 504.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O5S2/c22-18-14-3-2-13(26(28)29)10-17(14)33-19(18)20(27)24-5-7-25(8-6-24)21(32)23-12-1-4-15-16(9-12)31-11-30-15/h1-4,9-10H,5-8,11H2,(H,23,32)InChIKey
SYZVDLDQOMIKSI-UHFFFAOYSA-NSynonyms
4((2HBENZO(34D)13DIOXOLAN5YLAMINO)THIOXOMETHYL)PIPERAZINYL3CHLORO6NITROBENZO(B)THIOPHEN2YLKETONE
C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl)C(=S)NC4=CC5=C(C=C4)OCO5
InChI=1SC21H17ClN4O5S2c2218143213(26(28)29)1017(14)3319(18)20(27)245725(8624)21(32)2312141516(912)31113015h14910H5811H2(H2332)
MFCD04129378
N(13benzodioxol5yl)4((3chloro6nitro1benzothiophen2yl)carbonyl)piperazine1carbothioamide
N(13BENZODIOXOL5YL)4(3CHLORO6NITRO1BENZOTHIOPHENE2CARBONYL)PIPERAZINE1CARBOTHIOAMIDE
S=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))Nc1ccc2c(c1)OCO2
ZINC000002853594
ZINC02853594
ZINC2853594
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