Vitas-M small molecule compound
N-{[5-{[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Catalog ID
STK267230
SMILES C=CCn1c(nnc1CNC(=O)c1ccco1)SC(C(=O)Nc1ccc2c(c1)OCO2)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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-3-8-26-18(11-22-20(28)16-5-4-9-29-16)24-25-21(26)32-13(2)19(27)23-14-6-7-15-17(10-14)31-12-30-15/h3-7,9-10,13H,1,8,11-12H2,2H3,(H,22,28)(H,23,27)InChIKey
PXPZSMJZBNOJIG-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3CC=C)CNC(=O)C4=CC=CO4
FURAN2CARBOXYLICACID(4ALLYL5(1(BENZO(13)DIOXOL5YLCARBAMOYL)ETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
InChI=1SC21H21N5O5Sc1382618(112220(28)165492916)242521(26)3213(2)19(27)2314671517(1014)31123015h3791013H181112H22H3(H2228)(H2327)
MFCD09267871
N((5((1(13BENZODIOXOL5YLAMINO)1OXOPROPAN2YL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)FURAN2CARBOXAMIDE
N((5(1(13benzodioxol5ylamino)1oxopropan2yl)sulfanyl4prop2enyl124triazol3yl)methyl)furan2carboxamide
ZINC000009583082
ZINC000009583089
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