Vitas-M small molecule compound
N-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK776692
SMILES S=C(N1CCN(CC1)C/C=C/c1ccccc1)NC(=O)c1ccc2c(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 C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c26-21(18-8-9-19-20(15-18)28-16-27-19)23-22(29)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,23,26,29)/b7-4+InChIKey
HAOBAARHTNHQJH-QPJJXVBHSA-NSynonyms
695205-60-8(E)N(4cinnamylpiperazine1carbonothioyl)benzo(d)(13)dioxole5carboxamide
695205608
C1CN(CCN1CC=CC2=CC=CC=C2)C(=S)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC22H23N3O3Sc2621(18891920(1518)28162719)2322(29)25131124(121425)1047175213617h1915H101416H2(H232629)b74+
MFCD03680440
N((4((2E)3PHENYLPROP2EN1YL)PIPERAZIN1YL)CARBONOTHIOYL)13BENZODIOXOLE5CARBOXAMIDE
N(4((E)3PHENYLPROP2ENYL)PIPERAZINE1CARBOTHIOYL)13BENZODIOXOLE5CARBOXAMIDE
S=C(N1CCN(CC1)CC=Cc1ccccc1)NC(=O)c1ccc2c(c1)OCO2
ZINC000020189691
ZINC20189691
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